UCSF

ZINC40554165

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 24 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) 0.95 2.68 -13.69 2 6 0 71 349.456 6
Mid Mid (pH 6-8) 0.95 4.94 -50.14 3 6 1 72 350.464 6

Activity (Go SEA)

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