UCSF

ZINC08440132

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 35 No

Popular Name: 4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide 4-(3-methoxyphenyl)-2-methyl-5-o…

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Other Names:

MFCD02608072

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) 5.11 13.12 -19.69 2 6 0 80 465.553 5 ↓
Mid Mid (pH 6-8) 5.25 12.26 -17.44 1 6 0 81 465.553 5 ↓
Mid Mid (pH 6-8) 5.25 11.34 -14.13 1 6 0 81 465.553 5 ↓
Mid Mid (pH 6-8) 5.25 12.23 -12.56 1 6 0 81 465.553 5 ↓
Lo Low (pH 4.5-6) 5.25 12.55 -42.43 2 6 1 82 466.561 5 ↓
Lo Low (pH 4.5-6) 5.07 12.64 -39.38 2 6 1 82 466.561 5 ↓
Lo Low (pH 4.5-6) 5.25 12 -33.31 2 6 1 82 466.561 5 ↓
Lo Low (pH 4.5-6) 5.25 11.11 -31.87 2 6 1 82 466.561 5 ↓
Lo Low (pH 4.5-6) 5.07 11.6 -30.02 2 6 1 82 466.561 5 ↓

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