| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 11 | Yes |
Popular Name: (6S)-2-bromo-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (6S)-2-bromo-6-methyl-4,5,6,7-te…
| 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) | 2.63 | 5.13 | -43.68 | 2 | 1 | 1 | 17 | 233.154 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 3.82 | -1.93 | 1 | 1 | 0 | 12 | 232.146 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PNMT-1-E | Phenylethanolamine N-methyltransferase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 730 | 0.78 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PNMT_HUMAN | P11086 | Phenylethanolamine N-methyltransferase, Human | 730 | 0.78 | Binding ≤ 1μM |
| PNMT_HUMAN | P11086 | Phenylethanolamine N-methyltransferase, Human | 730 | 0.78 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Catecholamine biosynthesis |
