UCSF

ZINC19736871

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 15 Yes

Popular Name: ethyl 3-[(pyridin-3-ylmethyl)amino]propanoate ethyl 3-[(pyridin-3-ylmethyl)ami…

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CAS Number: 1040688-05-8

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) 0.46 5.13 -50.22 2 4 1 56 209.269 7 ↓
Mid Mid (pH 6-8) 0.46 3.7 -7.21 1 4 0 51 208.261 7 ↓

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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