In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2008 | 22 | No |
Popular Name: 1-[(2S)-2-(4-methoxyphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone 1-[(2S)-2-(4-methoxyphenyl)-5-ph…
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) | 2.67 | 5.25 | -9.25 | 0 | 5 | 0 | 51 | 296.326 | 3 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AOFB-3-E | Monoamine Oxidase B (cluster #3 Of 8), Eukaryotic | Eukaryotes | 5160 | 0.34 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 5160 | 0.34 | Binding ≤ 10μM |
Description | Species |
---|---|
Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2 |