UCSF

ZINC06666144

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 14 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) 1.56 3.36 -13.92 1 4 0 55 188.186 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0662477A1; EP0693061A1; EP0693061B1; US5538940; US5668160; US5716974; WO1994022844A1 IBM Patent Data

Activity (Go SEA)

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