UCSF

ZINC39941241

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 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) -0.71 0.87 -101.63 5 4 2 71 174.244 3
Hi High (pH 8-9.5) -0.71 -0.48 -42.89 4 4 1 66 173.236 3
Hi High (pH 8-9.5) -0.71 0.52 -40.65 4 4 1 69 173.236 3

Activity (Go SEA)

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