UCSF

ZINC00152937

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 No

Popular Name: 1-Methyl-3-n-propyl-2-pyrazolin-5-one 1-Methyl-3-n-propyl-2-pyrazolin-…

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CAS Number: 31272-04-5

Download: MOL2 SDF SMILES Flexibase

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) 1.14 3.28 -8.45 0 3 0 33 140.186 2 ↓
Mid Mid (pH 6-8) 1.59 0.97 -6.18 1 3 0 38 140.186 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 114-118? Alfa-Aesar
Melting_Point 114-118° Alfa-Aesar

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