| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 21 | Yes |
Popular Name: methyl methyl
| 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) | 4.44 | 10.14 | -34.07 | 1 | 3 | 1 | 31 | 329.247 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0644775A1; EP0644775B1; EP0703791A1; EP0905135A2; EP1051980A2; US5506359 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q7JHP9-1-E | Transporter (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.60 | Binding ≤ 10μM |
| SC6A4-4-E | Serotonin Transporter (cluster #4 Of 4), Eukaryotic | Eukaryotes | 3 | 0.57 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A4_MACMU | Q9MYX0 | Serotonin Transporter, Macmu | 2.5 | 0.57 | Binding ≤ 1μM |
| Q7JHP9_MACMU | Q7JHP9 | Transporter, Macmu | 1.1 | 0.60 | Binding ≤ 1μM |
| SC6A4_MACMU | Q9MYX0 | Serotonin Transporter, Macmu | 2.5 | 0.57 | Binding ≤ 10μM |
| Q7JHP9_MACMU | Q7JHP9 | Transporter, Macmu | 1.1 | 0.60 | Binding ≤ 10μM |
