UCSF

ZINC41042064

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 12 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) 1.68 1.53 -34.71 4 3 1 60 173.28 5
Hi High (pH 8-9.5) 1.68 0.49 -7.35 3 3 0 55 172.272 5

Activity (Go SEA)

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