UCSF

ZINC06743990

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 16 Yes

Popular Name: 2-(3,5-dimethyl-1h-pyrazol-1-yl)benzoic acid 2-(3,5-dimethyl-1h-pyrazol-1-yl)…

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CAS Number: 27363-77-5

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) 1.84 6.74 -60.79 0 4 -1 58 215.232 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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