UCSF

ZINC12615443

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 21 No

Popular Name: 2-Pyrazolin-5-one, 3-methyl-4-(4-methyl-1-piperazinylmethylene)-1-phenyl-; 3-Methyl-4-(4-methyl-1-piperazinylmethylene)-1-phenyl-2-pyrazolin-5-one; 3-Methyl-4-(N'-methyl-N-piperazino)methylene-1-phenyl-2-pyrazolin-5-one; BRN 0810999; LS-128897 2-Pyrazolin-5-one, 3-methyl-4-(4…

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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) 1.17 5.9 -17.18 0 5 0 41 284.363 2 ↓
Mid Mid (pH 6-8) 1.17 8.26 -53.28 1 5 1 43 285.371 2 ↓
Mid Mid (pH 6-8) 1.17 8.64 -57.65 1 5 1 43 285.371 2 ↓

Activity (Go SEA)

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