UCSF

ZINC42781402

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.15 6.88 -57.1 2 5 1 54 295.403 7
Hi High (pH 8-9.5) 2.15 7.95 -85.72 1 5 0 57 294.395 7

Activity (Go SEA)

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