UCSF

ZINC19702709

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 11 Yes

Popular Name: 5-(3-methylbutyl)-2,4-dihydro-3H-pyrazol-3-one 5-(3-methylbutyl)-2,4-dihydro-3H…

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CAS Numbers: , 1030419-95-4 , [1030419-95-4]

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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) 2.30 0.95 -8.92 2 3 0 49 154.213 3 ↓
Mid Mid (pH 6-8) 2.30 2.08 -50.09 1 3 -1 52 153.205 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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