UCSF

ZINC02378997

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 17 Yes

Popular Name: Ethyl-4-(4-cyanophenyl)-4-oxobutyrate Ethyl-4-(4-cyanophenyl)-4-oxobut…

Find On: PubMed — Wikipedia — Google

CAS Number: 25370-40-5

Other Names:

MFCD01320301

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) 1.69 7.87 -9.18 0 4 0 67 231.251 6 ↓

Vendor Notes

Note Type Comments Provided By
MP 73-76° Oakwood Chemical

Activity (Go SEA)

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