UCSF

ZINC11616162

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 25 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) 1.88 0.8 -23.96 3 9 0 123 359.354 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0698611A1; EP0698611B1; US5472949; US5476932; US6005098; US6114520; WO1996037214A2; WO1999040099A1 IBM Patent Data

Activity (Go SEA)

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