UCSF

ZINC67956014

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 24 Yes

Popular Name: 3-[[isopropyl(3-pyridylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one 3-[[isopropyl(3-pyridylmethyl)am…

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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) 2.15 8.51 -43.23 2 4 1 50 322.432 5 ↓
Mid Mid (pH 6-8) 2.15 6.92 -9.42 1 4 0 49 321.424 5 ↓

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Rings

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

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