| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 24th, 2009 | 9 | No |
Popular Name: 2-Heptanone, 7-amino- (9CI) 2-Heptanone, 7-amino- (9CI)
Find On: PubMed — Wikipedia — Google
CAS Number: 51552-23-9
| 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) | 0.21 | 2.47 | -45.48 | 3 | 2 | 1 | 45 | 130.211 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PAOX-1-E | Polyamine Oxidase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2200 | 0.88 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PAOX_HUMAN | Q6QHF9 | Polyamine Oxidase, Human | 2200 | 0.88 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Interconversion of polyamines | |
| Polyamines are oxidized to amines, aldehydes and H2O2 by PAOs |
No pre-computed analogs available. Try a structural similarity search.