UCSF

ZINC40187788

Substance Information

In ZINC since Heavy atoms Benign functionality
April 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) 1.24 6 -10.21 1 4 0 47 241.294 3
Mid Mid (pH 6-8) 1.24 6.43 -30.39 2 4 1 48 242.302 3

Activity (Go SEA)

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