| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2010 | 12 | No |
| 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) | 2.33 | 4.07 | -40.6 | 3 | 2 | 1 | 31 | 165.26 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.33 | 4.25 | -2.32 | 2 | 2 | 0 | 29 | 164.252 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.33 | 5.62 | -35.76 | 3 | 2 | 1 | 30 | 165.26 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOC3-1-E | Amine Oxidase, Copper Containing (cluster #1 Of 2), Eukaryotic | Eukaryotes | 468 | 0.74 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOC3_HUMAN | Q16853 | Amine Oxidase, Copper Containing, Human | 467.735141 | 0.74 | Binding ≤ 1μM |
| AOC3_HUMAN | Q16853 | Amine Oxidase, Copper Containing, Human | 467.735141 | 0.74 | Binding ≤ 10μM |
