UCSF

ZINC18067609

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 34 No

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

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Other Names:

MFCD02233097

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) 5.04 10.89 -27.02 2 6 0 77 460.574 5 ↓
Mid Mid (pH 6-8) 5.16 12.06 -24.37 1 6 0 77 460.574 5 ↓
Mid Mid (pH 6-8) 4.99 11.39 -33.38 1 6 0 77 460.574 5 ↓

Activity (Go SEA)

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