UCSF

ZINC56964116

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2011 23 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) 0.53 5.39 -55.89 3 7 0 95 323.393 10
Mid Mid (pH 6-8) 0.53 3.87 -29.2 3 7 0 98 323.393 10

Activity (Go SEA)

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