UCSF

ZINC54931025

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 17 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) 2.38 5.37 -10.48 1 4 0 41 228.299 3
Mid Mid (pH 6-8) 2.38 5.44 -26.54 2 4 1 42 229.307 3
Mid Mid (pH 6-8) 2.38 5.51 -29.09 2 4 1 42 229.307 3

Activity (Go SEA)

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

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