UCSF

ZINC40497425

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 25 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) 0.69 4.07 -49.02 3 7 1 75 347.439 6
Mid Mid (pH 6-8) 0.69 3.96 -52.37 3 7 1 75 347.439 6
Mid Mid (pH 6-8) 0.69 1.7 -16.52 2 7 0 74 346.431 6

Activity (Go SEA)

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