UCSF

ZINC40858613

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 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) 3.56 5.67 -50.37 4 3 1 57 255.426 6
Mid Mid (pH 6-8) 3.56 5.39 -5.1 3 3 0 55 254.418 6

Activity (Go SEA)

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