UCSF

ZINC39147636

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2010 12 Yes

Other Names:

MFCD16061622

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) 1.06 3.45 -42.99 3 2 1 37 166.244 4

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0540143A2; EP0540143A3; EP0671928A1; EP0789577A1; US5447916; US5480871; US5536853; US5593993; US5658907; US5714503; US5831005; US5877278; US5977301; WO1994006451A1; WO1996040202A1 IBM Patent Data

Activity (Go SEA)

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