UCSF

ZINC67955339

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 3-[[2-hydroxyethyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-8-methyl-1H-quinolin-2-one 3-[[2-hydroxyethyl-[(1-methylpyr…

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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) 0.44 4.97 -37.74 3 6 1 75 327.408 6 ↓
Mid Mid (pH 6-8) 0.44 3.16 -16.48 2 6 0 74 326.4 6 ↓

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

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