| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2006 | 17 | No |
Popular Name: 3-propyl-5-(4-pyridylmethylene)-2-thioxo-thiazolidin-4-one 3-propyl-5-(4-pyridylmethylene)-…
| 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) | 1.48 | 7.21 | -8.97 | 0 | 3 | 0 | 35 | 264.375 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.48 | 7.5 | -41.71 | 1 | 3 | 1 | 36 | 265.383 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFB-8-E | Monoamine Oxidase B (cluster #8 Of 8), Eukaryotic | Eukaryotes | 800 | 0.50 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 800 | 0.50 | Binding ≤ 1μM |
| AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 800 | 0.50 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2 |
