UCSF

ZINC08699880

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2007 17 Yes

Popular Name: 5-Isopropyl-1-phenyl-1H-pyrazole-4-carboxylic acid 5-Isopropyl-1-phenyl-1H-pyrazole…

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CAS Number: 116344-18-4

Other Names:

MFCD07357362

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) 2.44 1.83 -50.03 0 4 -1 58 229.259 3 ↓

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% )