| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 15 | Yes |
Popular Name: N-methyl-N'-[3-(3-methylaminopropylamino)propyl]propane-1,3-diamine N-methyl-N'-[3-(3-methylaminopro…
| 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) | -0.44 | 3.11 | -268.74 | 8 | 4 | 4 | 66 | 220.405 | 12 | ↓ |
| Hi High (pH 8-9.5) | -0.44 | 0.15 | -88.7 | 6 | 4 | 2 | 57 | 218.389 | 12 | ↓ |
| Mid Mid (pH 6-8) | -0.44 | 1.66 | -184.02 | 7 | 4 | 3 | 62 | 219.397 | 12 | ↓ |
| Mid Mid (pH 6-8) | -0.44 | 1.76 | -158.64 | 7 | 4 | 3 | 62 | 219.397 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193-7-O | L1210 (Lymphocytic Leukemia Cells) (cluster #7 Of 12), Other | Other | 5600 | 0.49 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 2500 | 0.52 | Functional ≤ 10μM |
