UCSF

ZINC00730566

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 13 Yes

Popular Name: 2,2-Dimethyl-N-pyridin-2-yl-propionamide 2,2-Dimethyl-N-pyridin-2-yl-prop…

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CAS Numbers: 86847-59-8 , [86847-59-8]

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) 1.92 5.12 -12.2 1 3 0 42 178.235 2 ↓
Lo Low (pH 4.5-6) 1.92 4.87 -27.36 2 3 1 43 179.243 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 71 - 73 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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