UCSF

ZINC08415285

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 38 No

Popular Name: 4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-N-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide 4-(4-fluorophenyl)-2-methyl-5-ox…

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Other Names:

MFCD03235727

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) 6.99 14.97 -16.63 2 4 0 58 520.526 5 ↓
Mid Mid (pH 6-8) 7.13 2.19 -9.15 1 4 0 58 520.526 5 ↓
Mid Mid (pH 6-8) 6.94 2.46 -10.94 1 4 0 58 520.526 5 ↓
Mid Mid (pH 6-8) 7.13 3.48 -16.53 1 4 0 58 520.526 5 ↓

Activity (Go SEA)

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