| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 18th, 2011 | 21 | No |
Popular Name: N6-[(3R)-1,1-dioxothiolan-3-yl]-N6,8,9-trimethyl-purine-2,6-diamine N6-[(3R)-1,1-dioxothiolan-3-yl]-…
| 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) | 0.33 | 4.85 | -18.68 | 2 | 8 | 0 | 107 | 310.383 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.33 | 4.48 | -39.92 | 3 | 8 | 1 | 108 | 311.391 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.33 | 5.32 | -38.68 | 3 | 8 | 1 | 108 | 311.391 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
