UCSF

ZINC00384045

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 18 Yes

Popular Name: 4-pyridyl(3-quinolyl)methanone 4-pyridyl(3-quinolyl)methanone

Find On: PubMed — Wikipedia — Google

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) 2.09 0.13 -9.95 0 3 0 42 234.258 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5026711 IBM Patent Data

Activity (Go SEA)

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