UCSF

ZINC56874889

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) -2.60 -2.09 -314.55 11 8 4 136 350.504 7
Hi High (pH 8-9.5) -2.60 -4.38 -42.18 8 8 1 129 347.48 7
Hi High (pH 8-9.5) -2.60 -3.36 -113.82 9 8 2 130 348.488 7
Mid Mid (pH 6-8) -2.60 -3.05 -191.79 10 8 3 132 349.496 7

Activity (Go SEA)

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

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