UCSF

ZINC34682174

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 36 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) 4.76 9.63 -14.24 2 7 0 78 488.632 10
Mid Mid (pH 6-8) 4.76 11.89 -50.68 3 7 1 79 489.64 10
Mid Mid (pH 6-8) 4.76 9.96 -40.53 3 7 1 79 489.64 10

Activity (Go SEA)

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