UCSF

ZINC42866135

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 15 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) 1.05 3.36 -87.44 5 4 2 69 228.365 7
Hi High (pH 8-9.5) 1.05 1.02 -35.63 4 4 1 68 227.357 7

Activity (Go SEA)

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