UCSF

ZINC67974174

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 25 Yes

Popular Name: 6-ethoxy-3-[[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]methyl]-1H-quinolin-2-one 6-ethoxy-3-[[methyl-[(1R)-1-pyri…

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) 1.57 8.26 -33.76 2 6 1 72 339.419 6 ↓
Mid Mid (pH 6-8) 1.57 5.95 -10.47 1 6 0 71 338.411 6 ↓

Activity (Go SEA)

Rings

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

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