| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2009 | 36 | Yes |
Popular Name: N-[5-[3-[4-(3-aminopropylamino)butylamino]propylamino]pentyl]acridine-9-carboxamide N-[5-[3-[4-(3-aminopropylamino)b…
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| 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) | 2.13 | 8.89 | -281.37 | 10 | 7 | 4 | 119 | 496.744 | 19 | ↓ |
| Hi High (pH 8-9.5) | 2.13 | 5.94 | -103.26 | 8 | 7 | 2 | 110 | 494.728 | 19 | ↓ |
| Hi High (pH 8-9.5) | 2.13 | 7.36 | -180.53 | 9 | 7 | 3 | 115 | 495.736 | 19 | ↓ |
| Hi High (pH 8-9.5) | 2.13 | 7.16 | -100.05 | 8 | 7 | 2 | 113 | 494.728 | 19 | ↓ |
| Hi High (pH 8-9.5) | 2.13 | 7.16 | -110.11 | 8 | 7 | 2 | 113 | 494.728 | 19 | ↓ |
| Mid Mid (pH 6-8) | 2.13 | 8.51 | -193.82 | 9 | 7 | 3 | 118 | 495.736 | 19 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80088-2-O | CHO (Ovarian Cells) (cluster #2 Of 4), Other | Other | 2000 | 0.22 | Functional ≤ 10μM |
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 97 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80088 | Z80088 | CHO (Ovarian Cells) | 2000 | 0.22 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 6600 | 0.20 | Functional ≤ 10μM |
