UCSF

ZINC12955298

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 7 Yes

Popular Name: Piperidin-3-one hydrochloride Piperidin-3-one hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 50717-82-3 , 61644-00-6 , N/A , [61644-00-6]

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) -0.68 1.57 -44.17 2 2 1 34 100.141 0 ↓
Mid Mid (pH 6-8) -0.68 0.21 -4.67 1 2 0 29 99.133 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 128-130° Matrix Scientific
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.