| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 16 | Yes |
Popular Name: N'-(3-aminopropyl)-N-(3-ethylaminopropyl)butane-1,4-diamine N'-(3-aminopropyl)-N-(3-ethylami…
None
| 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) | -1.12 | 2.87 | -261.06 | 9 | 4 | 4 | 77 | 234.432 | 13 | ↓ |
| Hi High (pH 8-9.5) | -1.12 | 1.13 | -98.43 | 7 | 4 | 2 | 71 | 232.416 | 13 | ↓ |
| Hi High (pH 8-9.5) | -1.12 | 1.14 | -83.42 | 7 | 4 | 2 | 71 | 232.416 | 13 | ↓ |
| Mid Mid (pH 6-8) | -1.12 | 2.49 | -174.28 | 8 | 4 | 3 | 76 | 233.424 | 13 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193-7-O | L1210 (Lymphocytic Leukemia Cells) (cluster #7 Of 12), Other | Other | 330 | 0.57 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 1700 | 0.50 | Functional ≤ 10μM |
