UCSF

ZINC15020643

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 11 Yes

Popular Name: 3-(pyrrolidin-3-yl)pyridine 3-(pyrrolidin-3-yl)pyridine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1352305-34-0 , 1373253-17-8 , 150281-46-2 , 498548-11-1 , 635309-61-4 , [1373253-17-8] , [498548-11-1]

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) 0.59 3.37 -41.85 2 2 1 29 149.217 1 ↓
Lo Low (pH 4.5-6) 0.59 3.69 -92.2 3 2 2 31 150.225 1 ↓
Lo Low (pH 4.5-6) 0.59 0.88 -43.11 1 2 0 28 148.209 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
PUBCHEM_PATENT_ID EP0425134A1 IBM Patent Data
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.