UCSF

ZINC00798242

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 15 Yes

Popular Name: Phenyl-(1-pyridin-4-yl-ethyl)-amine Phenyl-(1-pyridin-4-yl-ethyl)-amine

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CAS Numbers: 152127-34-9 , 6186-22-7

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) 2.46 6.07 -4.69 1 2 0 25 198.269 3 ↓
Lo Low (pH 4.5-6) 2.46 6.53 -35.78 2 2 1 26 199.277 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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