UCSF

ZINC03884584

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 19 No

Popular Name: 4-(3-Methylpiperidin-1-yl)-3-nitrobenzoic acid 4-(3-Methylpiperidin-1-yl)-3-nit…

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CAS Numbers: 380194-19-4 , [380194-19-4]

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) 2.99 1.07 -45.98 0 6 -1 89 263.273 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
MP 90 - 94 Enamine Building Blocks
MP 90...94 Enamine Building Blocks
purity 95 Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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