UCSF

ZINC01595727

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 No

Popular Name: undecanal undecanal

Find On: PubMed — Wikipedia — Google

CAS Number: 112-44-7

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) 5.11 8.22 -4.76 0 1 0 17 170.296 9 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 2? Alfa-Aesar
Melting_Point 2° Alfa-Aesar
Boiling_Point 110-112?/12mm Alfa-Aesar
Boiling_Point 110-112°/12mm Alfa-Aesar
ALOGPS_SOLUBILITY 2.01e-03 g/l DrugBank-experimental
Target Delta-type opioid receptor(P41143) Herbal Ingredients Targets

Activity (Go SEA)

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