UCSF

ZINC57991742

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 22 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) 3.25 10.15 -23.05 0 4 0 50 291.285 0
Lo Low (pH 4.5-6) -0.03 8.66 -26.06 1 4 1 52 292.293 0

Activity (Go SEA)

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

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