UCSF

ZINC14008078

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 11 Yes

Popular Name: 2-Pyrrolidin-3-ylpyridine 2-Pyrrolidin-3-ylpyridine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1198416-89-5 , 150281-45-1 , [150281-45-1]

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) 0.65 3.31 -42.99 2 2 1 29 149.217 1 ↓
Mid Mid (pH 6-8) 0.65 0.79 -41.07 1 2 0 28 148.209 1 ↓
Lo Low (pH 4.5-6) 0.65 3.64 -93.6 3 2 2 31 150.225 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific
melting_point Oil KeyOrganics

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Rings

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

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