UCSF

ZINC17971994

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 33 No

Popular Name: (4R)-4-[(E)-(4-fluorophenyl)methyliminomethyl]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4H-pyrazol-3-on (4R)-4-[(E)-(4-fluorophenyl)meth…

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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) 4.58 9.59 -53.94 2 8 1 107 447.446 7 ↓
Mid Mid (pH 6-8) 4.58 8.55 -11.62 1 8 0 105 446.438 7 ↓
Mid Mid (pH 6-8) 4.58 9.11 -10.92 1 8 0 105 446.438 7 ↓

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

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