| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 32 | No |
Popular Name: ethyl-dihydroxy-[(2-hydroxyethylamino)methyl]BLAHdione ethyl-dihydroxy-[(2-hydroxyethyl…
| 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) | 1.43 | 2.21 | -40.14 | 5 | 9 | 0 | 141 | 438.46 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 0.77 | -51.11 | 4 | 9 | 0 | 136 | 437.452 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 1.34 | -53.35 | 3 | 9 | 0 | 139 | 436.444 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 0.91 | -63.23 | 5 | 9 | 1 | 138 | 438.46 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | -0.53 | -52.96 | 4 | 9 | 0 | 134 | 437.452 | 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 | 250 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 250 | 0.29 | Functional ≤ 10μM |
