| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 9th, 2009 | 21 | No |
Popular Name: N-[[(2R)-2-methylcyclohexylidene]amino]-4-(p-tolyl)thiazol-2-amine N-[[(2R)-2-methylcyclohexylidene…
| 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) | 5.97 | 10.86 | -8.19 | 1 | 3 | 0 | 41 | 299.443 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 5.04 | 10.97 | -26.39 | 2 | 3 | 1 | 39 | 300.451 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 5.97 | 10.97 | -26.38 | 2 | 3 | 1 | 42 | 300.451 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFB-2-E | Monoamine Oxidase B (cluster #2 Of 8), Eukaryotic | Eukaryotes | 143 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 142 | 0.46 | Binding ≤ 1μM |
| AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 142 | 0.46 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2 |
