UCSF

ZINC20007341

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 19 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) 0.85 4.45 -57.3 3 4 1 65 285.433 7
Hi High (pH 8-9.5) 0.85 4.12 -8.84 2 4 0 63 284.425 7

Activity (Go SEA)

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