UCSF

ZINC34551120

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 12 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) 0.87 3.13 -37.47 4 2 1 43 163.244 0
Hi High (pH 8-9.5) 0.87 1.84 -3.51 3 2 0 38 162.236 0

Activity (Go SEA)

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