santacruzamate A

Ligand id: 7916

Name: santacruzamate A

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 67.43
Molecular weight 278.16
XLogP 1.86
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Pavlik CM, Wong CY, Ononye S, Lopez DD, Engene N, McPhail KL, Gerwick WH, Balunas MJ. (2013)
Santacruzamate A, a potent and selective histone deacetylase inhibitor from the Panamanian marine cyanobacterium cf. Symploca sp.
J. Nat. Prod., 76 (11): 2026-33. [PMID:24164245]