UCSF

ZINC05687494

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 14 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) 2.05 5.35 -17.78 1 3 0 46 202.238 0
Mid Mid (pH 6-8) 2.05 5.81 -42.75 2 3 1 47 203.246 0

Activity (Go SEA)

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

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