UCSF

ZINC65527631

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 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) 1.08 1.39 -44.26 2 6 -1 95 299.306 2
Mid Mid (pH 6-8) 1.08 0.62 -14.03 3 6 0 92 300.314 2
Mid Mid (pH 6-8) 1.08 1.96 -21.29 3 6 0 96 300.314 2

Activity (Go SEA)

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

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