| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 28 | Yes |
Popular Name: 2-[[6-[(3-chlorophenyl)-methyl-amino]-9-isopropyl-purin-2-yl]-(2-hydroxyethyl)amino]ethanol 2-[[6-[(3-chlorophenyl)-methyl-a…
None
| 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) | 3.71 | 10.21 | -11.81 | 2 | 8 | 0 | 91 | 404.902 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.71 | 9.17 | -26.24 | 3 | 8 | 1 | 92 | 405.91 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
