UCSF

ZINC33754290

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 26 No

Popular Name: 1,3-Diphenyl-4-(4-methyl-1-piperazinylmethylene)-2-pyrazolin-5-one; 1,3-Diphenyl-4-(N'-methyl-N-piperazino)methylene-2-pyrazolin-5-one; 2-Pyrazolin-5-one, 1,3-diphenyl-4-(4-methyl-1-piperazinylmethylene)-; BRN 0709153; LS-128875 1,3-Diphenyl-4-(4-methyl-1-piper…

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Annotations

Vendors

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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) 2.62 8.69 -15.78 0 5 0 41 346.434 3 ↓
Mid Mid (pH 6-8) 2.62 11.04 -53.16 1 5 1 43 347.442 3 ↓

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