UCSF

ZINC06363270

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2006 12 Yes

Popular Name: 1-acetylpiperidine-2-carboxylic acid 1-acetylpiperidine-2-carboxylic …

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CAS Numbers: 111555-81-8 , 35677-87-3

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) -1.61 0.13 -65.88 0 4 -1 60 170.188 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 137 - 139 Enamine Building Blocks
MP 137...139 Enamine Building Blocks
ALOGPS_SOLUBILITY 3.03e+02 g/l DrugBank-experimental
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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