UCSF

ZINC40765741

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) 2.30 8.3 -41.36 2 4 1 42 249.382 5
Mid Mid (pH 6-8) 2.30 8.69 -82.86 3 4 2 43 250.39 5

Activity (Go SEA)

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