| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 12th, 2010 | 32 | Yes |
Popular Name: (R)-2-((9-Isopropyl-6-((3-(pyridin-2-yl)benzyl)amino)-9H-purin-2-yl)amino)butan-1-ol (R)-2-((9-Isopropyl-6-((3-(pyrid…
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CAS Numbers: 1056016-18-2 , [1056016-18-2]
| 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) | 4.27 | 11.53 | -14.44 | 3 | 8 | 0 | 101 | 431.544 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 4.27 | 11.78 | -31.06 | 4 | 8 | 1 | 102 | 432.552 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80936-1-O | HEK293 (Embryonic Kidney Fibroblasts) (cluster #1 Of 4), Other | Other | 2800 | 0.24 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80936 | Z80936 | HEK293 (Embryonic Kidney Fibroblasts) | 2800 | 0.24 | ADME/T ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.