UCSF

ZINC67491131

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 24 Yes

Popular Name: 3-[[methyl-[(1R)-1-(4-pyridyl)ethyl]amino]methyl]-7-methylsulfanyl-1H-quinolin-2-one 3-[[methyl-[(1R)-1-(4-pyridyl)et…

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) 1.97 8.9 -40.16 2 4 1 50 340.472 5 ↓
Mid Mid (pH 6-8) 1.97 6.75 -10.05 1 4 0 49 339.464 5 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.