| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 33 | Yes |
Popular Name: N-benzyl-N-(2-dimethylaminoethyl)-9-isopropyl-N'-methyl-N'-phenyl-purine-2,6-diamine N-benzyl-N-(2-dimethylaminoethyl…
| 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) | 5.75 | 19.23 | -44.4 | 1 | 7 | 1 | 55 | 444.607 | 9 | ↓ |
| Hi High (pH 8-9.5) | 5.75 | 16.82 | -11.93 | 0 | 7 | 0 | 53 | 443.599 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 5.75 | 20.87 | -83.42 | 2 | 7 | 2 | 56 | 445.615 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 5.75 | 19.51 | -88.05 | 2 | 7 | 2 | 56 | 445.615 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
