| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2010 | 18 | Yes |
Popular Name: (2S)-2-methyl-3-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-(propylamino)propanenitrile (2S)-2-methyl-3-[(6-methyl-4-oxo…
| 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) | 2.26 | 3.36 | -11.5 | 2 | 5 | 0 | 82 | 266.37 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.71 | 1.39 | -46.88 | 1 | 5 | -1 | 85 | 265.362 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.26 | 4.5 | -54.1 | 3 | 5 | 1 | 86 | 267.378 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.71 | 2.53 | -60.69 | 2 | 5 | 0 | 89 | 266.37 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
