UCSF

ZINC56874849

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 24 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) -2.65 -6.36 -36.8 6 9 1 126 347.388 3
Hi High (pH 8-9.5) -2.65 -7.58 -9.89 5 9 0 122 346.38 3
Mid Mid (pH 6-8) -2.65 -5.08 -105.12 7 9 2 131 348.396 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.