UCSF

ZINC42452741

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 13 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) 0.44 2.62 -96.46 5 4 2 65 189.303 8
Mid Mid (pH 6-8) 0.44 0.1 -32.37 4 4 1 64 188.295 8

Activity (Go SEA)

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