UCSF

ZINC44479745

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2010 19 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) 1.69 3.63 -104.84 0 5 -2 88 295.238 5
Lo Low (pH 4.5-6) 1.69 3.6 -47.02 1 5 -1 86 296.246 5

Activity (Go SEA)

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