UCSF

ZINC06015322

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2006 35 No

Popular Name: 4-(2-isopropoxyphenyl)-N-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide 4-(2-isopropoxyphenyl)-N-(2-meth…

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Other Names:

MFCD02233147

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) 5.35 11.72 -23.76 2 6 0 77 474.601 6 ↓
Mid Mid (pH 6-8) 5.49 10.11 -15.66 1 6 0 77 474.601 6 ↓
Mid Mid (pH 6-8) 5.49 10.92 -21.23 1 6 0 77 474.601 6 ↓
Mid Mid (pH 6-8) 5.31 10.54 -16.31 1 6 0 77 474.601 6 ↓

Activity (Go SEA)

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