| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 20 | Yes |
Popular Name: (2S)-2-(propylamino)-4-(9H-purin-6-ylsulfanyl)butanamide (2S)-2-(propylamino)-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) | 0.76 | 3.61 | -52.87 | 5 | 7 | 1 | 114 | 295.392 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.76 | 2.54 | -16.86 | 4 | 7 | 0 | 110 | 294.384 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.76 | 2.01 | -42.27 | 3 | 7 | -1 | 108 | 293.376 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.76 | 3.17 | -59.73 | 4 | 7 | 0 | 112 | 294.384 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
