UCSF

ZINC13281566

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 12 Yes

Popular Name: [(Pyridin-3-ylmethyl)-amino]-acetic acid [(Pyridin-3-ylmethyl)-amino]-ace…

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CAS Numbers: 1171594-48-1 , 88720-62-1

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) -1.41 2.69 -43.27 2 4 0 70 166.18 4 ↓
Lo Low (pH 4.5-6) -1.41 2.97 -85.79 3 4 1 71 167.188 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 208 - 210 Enamine Building Blocks
MP 208...210 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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