UCSF

ZINC42477996

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 0.83 3.27 -96.8 5 4 2 65 237.347 5
Hi High (pH 8-9.5) 0.83 2.83 -48.43 4 4 1 64 236.339 5
Hi High (pH 8-9.5) 0.83 2.99 -23.62 4 4 1 64 236.339 5

Activity (Go SEA)

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