UCSF

ZINC40175233

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 28 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) 3.76 11.45 -30.94 1 5 1 47 376.48 6
Mid Mid (pH 6-8) 3.76 13.27 -37.52 1 5 1 47 376.48 6
Mid Mid (pH 6-8) 3.76 11.03 -5.82 0 5 0 46 375.472 6
Mid Mid (pH 6-8) 3.76 13.68 -81.38 2 5 2 48 377.488 6

Activity (Go SEA)

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