UCSF

ZINC44686252

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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 8.53 -73.63 3 4 2 35 272.396 4
Hi High (pH 8-9.5) 1.84 5.68 -8.88 1 4 0 33 270.38 4
Mid Mid (pH 6-8) 1.84 8.09 -41.07 2 4 1 34 271.388 4
Mid Mid (pH 6-8) 1.84 9.73 -190.15 4 4 3 40 273.404 4

Activity (Go SEA)

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