| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2011 | 19 | Yes |
Popular Name: (2S)-2-amino-2-cyclopropyl-3-(9H-purin-6-ylsulfanyl)propanamide (2S)-2-amino-2-cyclopropyl-3-(9H…
| 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) | -0.39 | 1.84 | -61.83 | 6 | 7 | 1 | 125 | 279.349 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.39 | 1.66 | -16.5 | 5 | 7 | 0 | 124 | 278.341 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.39 | 1.41 | -66.05 | 5 | 7 | 0 | 124 | 278.341 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.39 | 1.16 | -48.19 | 4 | 7 | -1 | 122 | 277.333 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
