| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 10th, 2009 | 27 | 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) | 3.44 | 7.35 | -54.7 | 2 | 5 | -1 | 90 | 373.469 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587-5-O | Homo Sapiens (cluster #5 Of 9), Other | Other | 1 | 0.47 | Functional ≤ 10μM |
| Z50597-11-O | Rattus Norvegicus (cluster #11 Of 12), Other | Other | 3 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587 | Z50587 | Homo Sapiens | 0.13 | 0.51 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 3.2 | 0.44 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.