UCSF

ZINC05019775

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2006 13 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) 0.96 1.93 -46.82 3 3 1 46 182.243 4

Vendor Notes

Note Type Comments Provided By
BP 118°/1mm Oakwood Chemical

Activity (Go SEA)

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