| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2010 | 16 | Yes |
Popular Name: (2S)-2-methyl-2-(methylamino)-3-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanenitrile (2S)-2-methyl-2-(methylamino)-3-…
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) | 1.38 | 1.63 | -12.16 | 2 | 5 | 0 | 82 | 238.316 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.84 | -0.35 | -47.75 | 1 | 5 | -1 | 85 | 237.308 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.38 | 1.02 | -23.59 | 2 | 5 | 0 | 82 | 238.316 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.38 | 2.31 | -63.48 | 3 | 5 | 1 | 86 | 239.324 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.38 | 2.91 | -55.34 | 3 | 5 | 1 | 86 | 239.324 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.84 | 0.94 | -63.27 | 2 | 5 | 0 | 89 | 238.316 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
