| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2010 | 31 | Yes |
Popular Name: (2R)-2-[[9-isopropyl-6-[4-(4-pyridyl)anilino]purin-2-yl]amino]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) | 4.89 | 11.49 | -12.72 | 3 | 8 | 0 | 101 | 417.517 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.89 | 11.72 | -41.76 | 4 | 8 | 1 | 102 | 418.525 | 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 | 8000 | 0.23 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80936 | Z80936 | HEK293 (Embryonic Kidney Fibroblasts) | 8000 | 0.23 | ADME/T ≤ 10μM |
