UCSF

ZINC39952023

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 28 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) 4.67 8.79 -46.22 2 7 1 72 390.504 7
Mid Mid (pH 6-8) 4.67 5.81 -10.28 1 7 0 71 389.496 7

Activity (Go SEA)

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