In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 30th, 2008 | 21 | No |
Popular Name: (3E)-3-[(3-hydroxy-4-methoxy-phenyl)methylene]chroman-4-one (3E)-3-[(3-hydroxy-4-methoxy-phe…
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) | 2.96 | 5.46 | -10.46 | 1 | 4 | 0 | 56 | 282.295 | 2 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AOFB-4-E | Monoamine Oxidase B (cluster #4 Of 8), Eukaryotic | Eukaryotes | 477 | 0.42 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 476.51 | 0.42 | Binding ≤ 1μM |
AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 476.51 | 0.42 | Binding ≤ 10μM |
Description | Species |
---|---|
Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2 |