| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2010 | 19 | Yes |
Popular Name: (2S)-2-(isopropylamino)-2-methyl-4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanenitrile (2S)-2-(isopropylamino)-2-methyl…
| 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) | 2.32 | 3.78 | -12.14 | 2 | 5 | 0 | 82 | 280.397 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.78 | 2.65 | -75.15 | 2 | 5 | 0 | 89 | 280.397 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.32 | 4.64 | -57.69 | 3 | 5 | 1 | 86 | 281.405 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.32 | 5.04 | -104.36 | 4 | 5 | 2 | 87 | 282.413 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
