UCSF

ZINC01503179

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 16 Yes

Popular Name: 1-Pyridin-3-ylmethyl-piperidine-3-carboxylic acid 1-Pyridin-3-ylmethyl-piperidine-…

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CAS Numbers: 1171690-17-7 , 887445-00-3

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) 0.52 6.06 -52.24 1 4 0 57 220.272 3 ↓
Lo Low (pH 4.5-6) 0.52 6.34 -105.44 2 4 1 59 221.28 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% )