UCSF

ZINC13425162

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 18 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) -0.87 -6.49 -20.09 5 8 0 131 322.115 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0544824A1; EP0544824B1; EP0586523A1; EP0653439A2; EP0653439A3; EP0914324A2; EP0948256A1; EP0983290A1; US4536571; US4617189; US5213972; US5614617; US5728684; US6020483; US6056859; US6063628; WO1992002258A1; WO1992020816A1; WO1997044346A2; WO1998018324A1 IBM Patent Data

Activity (Go SEA)

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