| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2009 | 24 | Yes |
Popular Name: 7-[(3-chlorophenyl)methoxy]-4-(dimethylaminomethyl)chromen-2-one 7-[(3-chlorophenyl)methoxy]-4-(d…
| 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) | 4.03 | 11.28 | -58.76 | 1 | 4 | 1 | 44 | 344.818 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.03 | 8.8 | -12.83 | 0 | 4 | 0 | 43 | 343.81 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFB-4-E | Monoamine Oxidase B (cluster #4 Of 8), Eukaryotic | Eukaryotes | 1120 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFB_RAT | P19643 | Monoamine Oxidase B, Rat | 1120 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2 |
