UCSF

ZINC45091590

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 21 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) 1.74 0.32 -13.85 2 6 0 98 338.426 5
Hi High (pH 8-9.5) 1.74 0.8 -39.73 1 6 -1 95 337.418 5

Activity (Go SEA)

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