UCSF

ZINC18119609

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 34 No

Popular Name: 2-methyl-N-(6-methylpyridin-2-yl)-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide 2-methyl-N-(6-methylpyridin-2-yl…

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Other Names:

MFCD02953029

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) 3.20 9.89 -29.94 2 8 0 99 463.534 6 ↓
Mid Mid (pH 6-8) 3.34 8.31 -17.53 1 8 0 99 463.534 6 ↓
Lo Low (pH 4.5-6) 3.16 9.48 -39.85 2 8 1 100 464.542 6 ↓
Lo Low (pH 4.5-6) 3.32 8.71 -40.12 2 8 1 100 464.542 6 ↓
Lo Low (pH 4.5-6) 3.34 8.6 -39.52 2 8 1 100 464.542 6 ↓

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