| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 21 | Yes |
Popular Name: 8-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-7H-purine-2,6-dione 8-[(4-ethylpiperazin-1-yl)methyl…
| 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) | -0.84 | 2.35 | -43.42 | 3 | 8 | 1 | 91 | 293.351 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.39 | -0.75 | -37.24 | 1 | 8 | -1 | 93 | 291.335 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.84 | 0.09 | -8.99 | 2 | 8 | 0 | 90 | 292.343 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.39 | 1.49 | -32.96 | 2 | 8 | 0 | 94 | 292.343 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
