| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 16 | Yes |
Popular Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-[(2-hydroxyethyl)amino]-3-methyl- (9CI) 1H-Purine-2,6-dione, 3,7-dihydro…
Find On: PubMed — Wikipedia — Google
CAS Number: 625822-51-7
| 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) | -1.47 | -1.03 | -10.82 | 4 | 8 | 0 | 116 | 225.208 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.02 | -2.34 | -41.1 | 3 | 8 | -1 | 119 | 224.2 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.47 | -0.57 | -39.29 | 5 | 8 | 1 | 117 | 226.216 | 3 | ↓ |
