| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 19 | Yes |
Popular Name: (2S)-2-(ethylamino)-4-(9H-purin-6-ylsulfanyl)butanoic (2S)-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) | -1.25 | 6.7 | -42.51 | 3 | 7 | 0 | 111 | 281.341 | 7 | ↓ |
| Mid Mid (pH 6-8) | -1.25 | 6.18 | -63.11 | 2 | 7 | -1 | 110 | 280.333 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
