UCSF

ZINC39550286

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 7.42 13.77 -10.89 0 3 0 42 450.541 5
Lo Low (pH 4.5-6) 7.42 15.72 -35.57 1 3 1 43 451.549 5
Lo Low (pH 4.5-6) 7.42 14.73 -37.61 1 3 1 43 451.549 5

Activity (Go SEA)

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