UCSF

ZINC16578413

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 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) 1.83 3.97 -14.8 1 4 0 59 296.779 5
Lo Low (pH 4.5-6) 1.83 4.25 -46.39 2 4 1 60 297.787 5

Activity (Go SEA)

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