| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 18th, 2008 | 26 | No |
Popular Name: 2-[3-(6-aminopurin-9-yl)propylamino]naphthalene-1,4-dione 2-[3-(6-aminopurin-9-yl)propylam…
| 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) | 1.71 | 7.85 | -17.51 | 3 | 8 | 0 | 116 | 348.366 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.35 | 6.94 | -48.28 | 2 | 8 | -1 | 122 | 347.358 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.26 | 6.34 | -42.44 | 3 | 8 | 1 | 117 | 349.374 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.26 | 1.95 | -33.46 | 3 | 8 | 1 | 117 | 349.374 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 195 - 196 | MolMall (formerly Molecular Diversity Preservation International) |
No pre-computed analogs available. Try a structural similarity search.
