UCSF

ZINC00156365

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: Isopropyl 3-acetylpyridine-2-carboxylate Isopropyl 3-acetylpyridine-2-car…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 195812-68-1 , [195812-68-1]

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) 1.58 5.36 -11.19 0 4 0 56 207.229 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 140-142?/1mm Alfa-Aesar
Boiling_Point 140-142°/1mm Alfa-Aesar
Melting_Point 38-42? Alfa-Aesar
Melting_Point 38-42° Alfa-Aesar

Activity (Go SEA)

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