UCSF

ZINC02582834

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2005 12 Yes

Popular Name: 4-Pyridin-4-yl-butyric acid 4-Pyridin-4-yl-butyric acid

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CAS Numbers: 102878-73-9 , 71879-56-6 , [102878-73-9] , [71879-56-6]

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) 0.86 4.74 -47.04 0 3 -1 53 164.184 4 ↓
Lo Low (pH 4.5-6) 0.86 5.02 -61.23 1 3 0 54 165.192 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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