| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2010 | 15 | Yes |
Popular Name: (2R)-2-amino-2-methyl-3-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanenitrile (2R)-2-amino-2-methyl-3-[(6-meth…
None
| 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) | 1.00 | 1.14 | -11.98 | 3 | 5 | 0 | 96 | 224.289 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.46 | -0.85 | -46.44 | 2 | 5 | -1 | 99 | 223.281 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 0.52 | -23.25 | 3 | 5 | 0 | 96 | 224.289 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.00 | 1.4 | -60.76 | 4 | 5 | 1 | 97 | 225.297 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
