UCSF

ZINC40407859

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 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) 1.89 4.63 -90.85 5 2 2 44 194.322 5
Hi High (pH 8-9.5) 1.89 4.23 -35.64 4 2 1 43 193.314 5

Activity (Go SEA)

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