UCSF

ZINC47251290

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2010 23 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) 1.84 -0.99 -42.95 3 7 -1 120 358.396 5
Hi High (pH 8-9.5) 1.84 -0.57 -102.28 2 7 -2 123 357.388 5
Mid Mid (pH 6-8) 1.84 -0.97 -14.7 4 7 0 118 359.404 5
Mid Mid (pH 6-8) 1.84 -0.56 -40.91 3 7 -1 120 358.396 5

Activity (Go SEA)

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