| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 19 | Yes |
Popular Name: (2R)-2-(ethylamino)-4-(9H-purin-6-ylsulfanyl)butanamide (2R)-2-(ethylamino)-4-(9H-purin-…
| 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) | 0.26 | 2.85 | -52.14 | 5 | 7 | 1 | 114 | 281.365 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.26 | 1.88 | -15.34 | 4 | 7 | 0 | 110 | 280.357 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.26 | 1.34 | -41.96 | 3 | 7 | -1 | 108 | 279.349 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.26 | 2.4 | -59.45 | 4 | 7 | 0 | 112 | 280.357 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
