UCSF

ZINC34767282

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 14 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) 0.12 -0.06 -50.17 5 3 1 60 195.286 6
Mid Mid (pH 6-8) 0.12 0.84 -131.99 6 3 2 64 196.294 6

Activity (Go SEA)

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