| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2007 | 32 | Yes |
Popular Name: 1,3-dimethyl-7-(1-naphthylmethyl)-8-(3-pyridylmethylamino)purine-2,6-dione 1,3-dimethyl-7-(1-naphthylmethyl…
| 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) | 3.16 | -0.4 | -12.92 | 1 | 8 | 0 | 86 | 426.48 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | -0.18 | -46.86 | 2 | 8 | 1 | 88 | 427.488 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.16 | -0.28 | -47.1 | 2 | 8 | 1 | 88 | 427.488 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.16 | -0.07 | -106.38 | 3 | 8 | 2 | 89 | 428.496 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.