UCSF

ZINC06137224

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2006 33 No

Popular Name: 4-[2,3-bis(methyloxy)phenyl]-2-methyl-N-[2-(methyloxy)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide 4-[2,3-bis(methyloxy)phenyl]-2-m…

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Other Names:

MFCD02232776

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) 3.77 9.16 -19.71 2 7 0 86 448.519 6 ↓
Mid Mid (pH 6-8) 3.91 0.42 -27.09 1 7 0 86 448.519 6 ↓
Mid Mid (pH 6-8) 3.91 -0.89 -12.92 1 7 0 86 448.519 6 ↓

Activity (Go SEA)

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