| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 32 | Yes |
Popular Name: (2R)-2-[[9-isopropyl-6-[4-(4-pyridyl)anilino]purin-2-yl]amino]-3-methyl-butan-1-ol (2R)-2-[[9-isopropyl-6-[4-(4-pyr…
| 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) | 5.13 | 11.39 | -13.24 | 3 | 8 | 0 | 101 | 431.544 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 5.13 | 12.48 | -44.49 | 4 | 8 | 1 | 102 | 432.552 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80936-1-O | HEK293 (Embryonic Kidney Fibroblasts) (cluster #1 Of 4), Other | Other | 6300 | 0.23 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80936 | Z80936 | HEK293 (Embryonic Kidney Fibroblasts) | 6300 | 0.23 | ADME/T ≤ 10μM |
