UCSF

ZINC00570731

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 16 Yes

Popular Name: (1-Phenyl-ethyl)-pyridin-4-ylmethyl-amine (1-Phenyl-ethyl)-pyridin-4-ylmet…

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CAS Number: 289476-22-8

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) 2.17 0.1 -45.09 2 2 1 29 213.304 4 ↓
Lo Low (pH 4.5-6) 2.17 0.21 -103.13 3 2 2 30 214.312 4 ↓

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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