UCSF

ZINC13516295

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 26 Yes

CAS Number: 42519-51-7

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) 0.92 -0.61 -14.51 4 9 0 126 357.37 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0322242A2; EP0322242B1; EP0689405A1; EP0755255A1; EP0885192A1; US5292725; US5573772; US5773424; WO1988008303A1; WO1994021195A1; WO1995002604A1; WO1996018398A1; WO1997027177A2; WO1998056385A1; WO2000053727A1 IBM Patent Data

Activity (Go SEA)

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