UCSF

ZINC04066825

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 33 No

Popular Name: methyl 4-{3-nitrophenyl}-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate methyl 4-{3-nitrophenyl}-7-(4-me…

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Other Names:

MFCD00718167

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) 4.98 1.35 -13.32 0 8 0 110 448.475 6 ↓
Mid Mid (pH 6-8) 5.17 1.42 -13.82 0 8 0 110 448.475 6 ↓
Mid Mid (pH 6-8) 4.98 1.46 -16.51 0 8 0 110 448.475 6 ↓
Mid Mid (pH 6-8) 5.17 2.68 -15.34 0 8 0 110 448.475 6 ↓

Activity (Go SEA)

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