| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2011 | 21 | Yes |
Popular Name: (2S)-2-cyclopropyl-2-(ethylamino)-3-(9H-purin-6-ylsulfanyl)propanamide (2S)-2-cyclopropyl-2-(ethylamino…
| 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) | 0.36 | 3.77 | -52.92 | 5 | 7 | 1 | 114 | 307.403 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.36 | 2.78 | -13.85 | 4 | 7 | 0 | 110 | 306.395 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.36 | 2.24 | -40.85 | 3 | 7 | -1 | 108 | 305.387 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.36 | 3.33 | -53.72 | 4 | 7 | 0 | 112 | 306.395 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
