| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2008 | 12 | No |
| 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) | -0.91 | -2.2 | -13.45 | 4 | 7 | 0 | 109 | 168.16 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.91 | -1.69 | -44.76 | 5 | 7 | 1 | 110 | 169.168 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.17 | -3.89 | -23.66 | 4 | 7 | 0 | 110 | 168.16 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.17 | -4.02 | -53.43 | 3 | 7 | -1 | 109 | 167.152 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.17 | -4.32 | -44.04 | 3 | 7 | -1 | 109 | 167.152 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.17 | -4.34 | -43.95 | 3 | 7 | -1 | 109 | 167.152 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.17 | -3.88 | -55.14 | 3 | 7 | -1 | 109 | 167.152 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80870-2-O | GM892A Cell Line (cluster #2 Of 2), Other | Other | 5000 | 0.62 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80870 | Z80870 | GM892A Cell Line | 5000 | 0.62 | Functional ≤ 10μM |
