UCSF

ZINC10013637

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2007 32 No

Popular Name: N-(2,4-difluorophenyl)-4-(4-hydroxy-3-methoxy-phenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline N-(2,4-difluorophenyl)-4-(4-hydr…

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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) 4.01 7.67 -17.49 3 6 0 88 440.446 4 ↓
Mid Mid (pH 6-8) 4.15 -1.79 -10.73 2 6 0 87 440.446 4 ↓
Mid Mid (pH 6-8) 4.15 -0.64 -12.92 2 6 0 87 440.446 4 ↓
Mid Mid (pH 6-8) 3.97 -1.48 -13.38 2 6 0 87 440.446 4 ↓

Activity (Go SEA)

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