UCSF

ZINC03885155

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 17 Yes

Popular Name: 5-Methyl-2-(3-trifluoromethyl-phenyl)-2,4-dihydro-pyrazol-3-one 5-Methyl-2-(3-trifluoromethyl-ph…

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CAS Numbers: 302582-47-4 , 321-05-1

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) 2.65 6.21 -9.88 0 3 0 33 242.2 2 ↓
Ref Reference (pH 7) 2.41 5.96 -17.07 1 3 0 38 242.2 2 ↓
Mid Mid (pH 6-8) 2.87 4.04 -8.02 1 3 0 38 242.2 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 127 - 129 Enamine Building Blocks
MP 127...129 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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