| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 15 | No |
Popular Name: 1-[(3,5-dichlorophenyl)methyl]-3H-imidazole-2-thione 1-[(3,5-dichlorophenyl)methyl]-3…
| 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) | 2.86 | 8.59 | -17.26 | 1 | 2 | 0 | 21 | 259.161 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DOPO-1-E | Dopamine Beta-hydroxylase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2399 | 0.52 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DOPO_RAT | Q05754 | Dopamine Beta-hydroxylase, Rat | 2398.83292 | 0.52 | Binding ≤ 10μM |
| DOPO_BOVIN | P15101 | Dopamine Beta-hydroxylase, Bovin | 2400 | 0.52 | Binding ≤ 10μM |
| DOPO_HUMAN | P09172 | Dopamine Beta-hydroxylase, Human | 2398.83292 | 0.52 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Catecholamine biosynthesis |
