| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 25th, 2009 | 15 | Yes |
| 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) | 3.29 | 3.55 | -47.8 | 4 | 2 | 1 | 48 | 214.373 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.29 | 2.97 | -2.26 | 3 | 2 | 0 | 46 | 213.365 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PNMT-2-E | Phenylethanolamine N-methyltransferase (cluster #2 Of 3), Eukaryotic | Eukaryotes | 9000 | 0.47 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PNMT_BOVIN | P10938 | Phenylethanolamine N-methyltransferase, Bovin | 9000 | 0.47 | Binding ≤ 10μM |
