UCSF

ZINC00388053

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 11 Yes

Popular Name: Ethyl isonicotinate Ethyl isonicotinate

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CAS Numbers: 1570-45-2 , 58827-14-8 , [1570-45-2]

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) 1.20 4.33 -5.75 0 3 0 39 151.165 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 220? Alfa-Aesar
Boiling_Point 220° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks
BP 92°/8mm Oakwood Chemical
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
Purity 99% APIChem

Activity (Go SEA)

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

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