| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 20 | 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) | 3.38 | 4.33 | -9.53 | 2 | 4 | 0 | 67 | 335.153 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.38 | 5.32 | -50.67 | 1 | 4 | -1 | 70 | 334.145 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102306-4-O | Aorta (cluster #4 Of 6), Other | Other | 4240 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102306 | Z102306 | Aorta | 4240 | 0.38 | Functional ≤ 10μM |
