| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2010 | 19 | Yes |
Popular Name: (2S)-2-methyl-4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-(propylamino)butanenitrile (2S)-2-methyl-4-[(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) | 2.53 | 3.85 | -13.98 | 2 | 5 | 0 | 82 | 280.397 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.98 | 3.11 | -76.63 | 2 | 5 | 0 | 89 | 280.397 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.53 | 5.08 | -59.62 | 3 | 5 | 1 | 86 | 281.405 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.53 | 5.48 | -106.48 | 4 | 5 | 2 | 87 | 282.413 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
