UCSF

ZINC33333469

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2009 8 No

Popular Name: Butanal, 2-ethyl-3-oxo- (9CI) Butanal, 2-ethyl-3-oxo- (9CI)

Find On: PubMed — Wikipedia — Google

CAS Number: 141939-89-1

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) 0.93 3.21 -5.13 0 2 0 34 114.144 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1992010105A1 IBM Patent Data

Activity (Go SEA)

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