UCSF

ZINC39168269

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2010 12 Yes

Popular Name: Methyl 6-(aminomethyl)nicotinate Methyl 6-(aminomethyl)nicotinate

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 1072438-56-2 , 139183-87-2 , 1706454-04-7 , 283173-15-9 , N/A , [1072438-56-2] , [139183-87-2]

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) -0.21 1.35 -49.92 3 4 1 67 167.188 3 ↓
Mid Mid (pH 6-8) -0.21 0.95 -5.82 2 4 0 65 166.18 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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