UCSF

ZINC50065140

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 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) -0.30 3.36 -44.85 1 6 1 70 214.245 7
Hi High (pH 8-9.5) -0.30 1.06 -12.72 0 6 0 68 213.237 7

Activity (Go SEA)

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