UCSF

ZINC45664834

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.81 1.87 -11.83 2 6 0 90 292.382 7
Lo Low (pH 4.5-6) 0.81 1.72 -60.45 3 6 1 91 293.39 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )