UCSF

ZINC67956103

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 3-[[(1-isopropylpyrazol-4-yl)methyl-methyl-amino]methyl]-7-methyl-1H-quinolin-2-one 3-[[(1-isopropylpyrazol-4-yl)met…

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Download: MOL2 SDF SMILES Flexibase

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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) 1.83 8.89 -41.63 2 5 1 55 325.436 5 ↓
Mid Mid (pH 6-8) 1.83 6.54 -12.16 1 5 0 54 324.428 5 ↓

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

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