| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 29th, 2008 | 22 | Yes |
Popular Name: (2S)-4-ethylamino-1-[4-[[(2R)-4-ethylamino-2-hydroxy-butyl]amino]butylamino]butan-2-ol (2S)-4-ethylamino-1-[4-[[(2R)-4-…
| 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) | -2.14 | 0.79 | -244.52 | 10 | 6 | 4 | 107 | 322.538 | 17 | ↓ |
| Hi High (pH 8-9.5) | -2.14 | -0.53 | -151.68 | 9 | 6 | 3 | 102 | 321.53 | 17 | ↓ |
| Hi High (pH 8-9.5) | -2.14 | -0.57 | -150.47 | 9 | 6 | 3 | 102 | 321.53 | 17 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193-5-O | L1210 (Lymphocytic Leukemia Cells) (cluster #5 Of 12), Other | Other | 600 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 1800 | 0.37 | Functional ≤ 10μM |
