| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2006 | 43 | 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) | 4.10 | 13.19 | -52.69 | 2 | 10 | 1 | 115 | 587.697 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.10 | 13.44 | -93.24 | 3 | 10 | 2 | 117 | 588.705 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 1200 | 0.19 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 1200 | 0.19 | Functional ≤ 10μM |
