| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 15 | No |
Popular Name: (3S)-3-(fluoromethyl)-7-isothiocyanato-1,2,3,4-tetrahydroisoquinoline (3S)-3-(fluoromethyl)-7-isothioc…
| 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) | 3.12 | 4.68 | -6.13 | 1 | 2 | 0 | 24 | 222.288 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PNMT-1-E | Phenylethanolamine N-methyltransferase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 570 | 0.58 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PNMT_BOVIN | P10938 | Phenylethanolamine N-methyltransferase, Bovin | 570 | 0.58 | Binding ≤ 1μM |
| PNMT_BOVIN | P10938 | Phenylethanolamine N-methyltransferase, Bovin | 570 | 0.58 | Binding ≤ 10μM |
