UCSF

ZINC00170112

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 14 Yes

Popular Name: 6-Pyrrolidin-1-yl-nicotinic acid 6-Pyrrolidin-1-yl-nicotinic acid

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CAS Numbers: 1251923-92-8 , 210963-95-4 , [210963-95-4]

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) 1.12 4.13 -38.85 1 4 0 58 192.218 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 259 - 261 KeyOrganics
MP 259-261° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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