| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 18 | Yes |
Popular Name: Norzimelidine Norzimelidine
None
| 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 | -0.66 | -48.69 | 2 | 2 | 1 | 29 | 304.211 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.12 | -0.56 | -103.49 | 3 | 2 | 2 | 30 | 305.219 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9WTR4-1-E | Norepinephrine Transporter (cluster #1 Of 2), Eukaryotic | Eukaryotes | 800 | 0.47 | Functional ≤ 10μM |
| SC6A4-1-E | Serotonin Transporter (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2500 | 0.44 | Functional ≤ 10μM |
| Z50594-6-O | Mus Musculus (cluster #6 Of 9), Other | Other | 1500 | 0.45 | Functional ≤ 10μM |
| Z50597-12-O | Rattus Norvegicus (cluster #12 Of 12), Other | Other | 38 | 0.58 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50594 | Z50594 | Mus Musculus | 100 | 0.54 | Functional ≤ 10μM |
| Q9WTR4_RAT | Q9WTR4 | Norepinephrine Transporter, Rat | 1500 | 0.45 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 240 | 0.51 | Functional ≤ 10μM |
| SC6A4_RAT | P31652 | Serotonin Transporter, Rat | 100 | 0.54 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.