UCSF

ZINC18096101

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 32 No

Popular Name: 4-[2,3-bis(methyloxy)phenyl]-2-methyl-N-(2-methylphenyl)-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:

MFCD02233082

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) 4.16 10.72 -24.34 2 6 0 77 432.52 5 ↓
Mid Mid (pH 6-8) 4.28 10.14 -31.45 1 6 0 77 432.52 5 ↓
Mid Mid (pH 6-8) 4.12 10.72 -36.56 1 6 0 77 432.52 5 ↓

Activity (Go SEA)

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