| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2009 | 34 | Yes |
Popular Name: N-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl]acridine-9-carboxamide N-[3-[3-[4-(3-aminopropylamino)b…
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) | 1.35 | 7.33 | -285.49 | 10 | 7 | 4 | 119 | 468.69 | 17 | ↓ |
| Hi High (pH 8-9.5) | 1.35 | 5.79 | -189.26 | 9 | 7 | 3 | 115 | 467.682 | 17 | ↓ |
| Hi High (pH 8-9.5) | 1.35 | 5.79 | -193.28 | 9 | 7 | 3 | 115 | 467.682 | 17 | ↓ |
| Hi High (pH 8-9.5) | 1.35 | 5.6 | -110.7 | 8 | 7 | 2 | 113 | 466.674 | 17 | ↓ |
| Hi High (pH 8-9.5) | 1.35 | 5.6 | -103.02 | 8 | 7 | 2 | 113 | 466.674 | 17 | ↓ |
| Mid Mid (pH 6-8) | 1.35 | 6.95 | -197.8 | 9 | 7 | 3 | 118 | 467.682 | 17 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 97 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 2200 | 0.23 | Functional ≤ 10μM |
