UCSF

ZINC44513359

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 11 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) 0.08 1.62 -45.26 3 2 1 31 153.249 2
Mid Mid (pH 6-8) 0.08 3.89 -98.18 4 2 2 32 154.257 2

Activity (Go SEA)

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