UCSF

ZINC42945610

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 18 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) 0.54 -2.04 -49.45 5 4 1 71 273.784 7
Mid Mid (pH 6-8) 0.54 0.67 -111.02 6 4 2 73 274.792 7
Mid Mid (pH 6-8) 0.54 0.38 -34.09 5 4 1 71 273.784 7

Activity (Go SEA)

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