| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2008 | 19 | Yes |
Popular Name: DNC014212 DNC014212
| 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) | 1.40 | 1.19 | -10.62 | 1 | 5 | 0 | 54 | 304.177 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 3.54 | -50.76 | 2 | 5 | 1 | 56 | 305.185 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFA-2-E | Monoamine Oxidase A (cluster #2 Of 8), Eukaryotic | Eukaryotes | 84 | 0.52 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFA_RAT | P21396 | Monoamine Oxidase A, Rat | 84 | 0.52 | Binding ≤ 1μM |
| AOFA_RAT | P21396 | Monoamine Oxidase A, Rat | 84 | 0.52 | Binding ≤ 10μM |
