UCSF

ZINC16941752

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 15 Yes

Popular Name: [3-(3,5-dimethyl-1H-pyrazol-1-yl)benzyl]amine [3-(3,5-dimethyl-1H-pyrazol-1-yl…

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CAS Numbers: 1185056-93-2 , [1185056-93-2]

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) 1.48 4.72 -47.59 3 3 1 45 202.281 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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