| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 16th, 2008 | 35 | Yes |
Popular Name: ethyl-dihydroxy-[(4-methylpiperazin-1-yl)methyl]BLAHdione ethyl-dihydroxy-[(4-methylpipera…
| 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) | 1.92 | 5.28 | -54.23 | 3 | 9 | 1 | 109 | 477.541 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.92 | 3.33 | -42.04 | 1 | 9 | -1 | 111 | 475.525 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 5.21 | -62.29 | 3 | 9 | 1 | 109 | 477.541 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 2.81 | -14.29 | 2 | 9 | 0 | 108 | 476.533 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 72 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 72 | 0.29 | Functional ≤ 10μM |
