UCSF

ZINC35635844

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 18 Yes

Popular Name: 5-(3-Acetylaminophenyl)-1H-pyrazole-3-carboxylic acid 5-(3-Acetylaminophenyl)-1H-pyraz…

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CAS Numbers: 1240061-39-5 , [1240061-39-5]

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) 1.00 4.03 -53.82 2 6 -1 98 244.23 3 ↓
Hi High (pH 8-9.5) 2.56 6.65 -9.14 0 2 0 26 176.215 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Rings

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

No pre-computed analogs available. Try a structural similarity search.