UCSF

ZINC67447225

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 23 Yes

Popular Name: 7-methoxy-3-[[methyl-[(1R)-1-thiazol-2-ylethyl]amino]methyl]-1H-quinolin-2-one 7-methoxy-3-[[methyl-[(1R)-1-thi…

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) 1.54 4.18 -13.97 1 5 0 58 329.425 5 ↓
Mid Mid (pH 6-8) 1.54 6.04 -32.02 2 5 1 59 330.433 5 ↓

Activity (Go SEA)

Rings

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

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