UCSF

ZINC00381031

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 20 Yes

Popular Name: 1,3-Diphenyl-1H-pyrazole-4-carboxylic acid 1,3-Diphenyl-1H-pyrazole-4-carbo…

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CAS Numbers: 77169-12-1 , [77169-12-1]

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) 2.83 1.7 -54.19 0 4 -1 57 263.276 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 202 - 204 Enamine Building Blocks
MP 202...204 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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