| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2005 | 29 | Yes |
Popular Name: 8-acridin-9-ylsulfanyl-1,3,7-trimethyl-purine-2,6-dione 8-acridin-9-ylsulfanyl-1,3,7-tri…
| 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) | 4.28 | -0.67 | -13.45 | 0 | 7 | 0 | 74 | 403.467 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.28 | -0.42 | -32.62 | 1 | 7 | 1 | 75 | 404.475 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.28 | -0.6 | -34.29 | 1 | 7 | 1 | 75 | 404.475 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.28 | -0.34 | -85.84 | 2 | 7 | 2 | 77 | 405.483 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
