| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2005 | 18 | No |
Popular Name: 3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-prop-2-en-1-one 3-(4-chlorophenyl)-1-(4-hydroxyp…
| 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) | 4.01 | 0.17 | -8.69 | 1 | 2 | 0 | 37 | 258.704 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFB-6-E | Monoamine Oxidase B (cluster #6 Of 8), Eukaryotic | Eukaryotes | 31 | 0.58 | Binding ≤ 10μM |
| Z50587-3-O | Homo Sapiens (cluster #3 Of 9), Other | Other | 6910 | 0.40 | Functional ≤ 10μM |
| Z80193-1-O | L1210 (Lymphocytic Leukemia Cells) (cluster #1 Of 12), Other | Other | 9070 | 0.39 | Functional ≤ 10μM |
| Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 8), Other | Other | 3670 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 31 | 0.58 | Binding ≤ 1μM |
| AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 31 | 0.58 | Binding ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 3470 | 0.42 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 9070 | 0.39 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 3670 | 0.42 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2 |
