UCSF

ZINC05063730

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 20 No

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) -3.77 6.44 -69.51 0 2 2 0 286.548 13

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0098004A1; EP0551688B1; US4602080; US5219813 IBM Patent Data

Activity (Go SEA)

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