UCSF

ZINC02243814

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2004 12 Yes

Popular Name: Ethyl 3-aminoisonicotinate Ethyl 3-aminoisonicotinate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 14208-83-4 , 306936-11-8 , 934-05-4 , [14208-83-4]

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) 1.00 2.4 -5.19 2 4 0 65 166.18 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 173 - 175 Enamine Building Blocks
MP 61 - 63 Enamine Building Blocks
MP 61...63 Enamine Building Blocks
Melting_Point 62-64? lit. Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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