UCSF

ZINC13483693

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 12 Yes

Popular Name: 4-(3,5-Dimethyl-pyrazol-1-yl)-butan-1-ol 4-(3,5-Dimethyl-pyrazol-1-yl)-bu…

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CAS Numbers: 1015844-27-5 , [1015844-27-5]

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) 0.74 2.39 -7.75 1 3 0 38 168.24 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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