UCSF

ZINC16941862

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 15 Yes

Popular Name: 1,4'-bipiperidine-3-carboxylic acid 1,4'-bipiperidine-3-carboxylic acid

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CAS Numbers: 1185293-24-6 , 889950-72-5

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) 0.19 3.34 -52.24 2 4 0 57 212.293 2 ↓
Mid Mid (pH 6-8) 0.19 2.52 -77.01 2 4 0 60 212.293 2 ↓
Mid Mid (pH 6-8) 0.19 5.85 -104.05 3 4 1 61 213.301 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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