UCSF

ZINC34651245

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 16 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) 0.20 3.25 -90.66 5 4 2 61 229.368 5
Hi High (pH 8-9.5) 0.39 0.18 -46.79 4 4 1 67 228.36 5
Hi High (pH 8-9.5) 0.20 2.42 -36.68 4 4 1 60 228.36 5

Activity (Go SEA)

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