UCSF

ZINC40694058

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 21 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) 0.32 5.29 -86.42 3 5 2 45 296.459 3
Mid Mid (pH 6-8) 0.32 4 -35.79 2 5 1 40 295.451 3

Activity (Go SEA)

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