UCSF

ZINC04171115

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 27 No

Popular Name: 4-[2-(4-chlorophenyl)ethylaminomethylene]-2-(4-fluorophenyl)-5-propyl-pyrazol-3-one 4-[2-(4-chlorophenyl)ethylaminom…

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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) 4.75 11.89 -16.51 1 4 0 47 385.87 7 ↓
Hi High (pH 8-9.5) 5.27 9.08 -7.08 1 4 0 50 385.87 7 ↓
Mid Mid (pH 6-8) 5.45 0.81 -52.77 1 4 1 46 386.878 7 ↓

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

No pre-computed analogs available. Try a structural similarity search.