UCSF

ZINC00105184

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 No

Popular Name: 1-(3-chlorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one 1-(3-chlorophenyl)-3-methyl-4,5-…

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CAS Numbers: 20629-90-7 , 20629-91-8 , 90-31-3 , [90-31-3]

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) 2.19 5.47 -15.78 1 3 0 38 208.648 1 ↓
Ref Reference (pH 7) 2.43 5.71 -9.8 0 3 0 33 208.648 1 ↓
Mid Mid (pH 6-8) 2.65 3.54 -7.42 1 3 0 38 208.648 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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