| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2010 | 17 | Yes |
Popular Name: (2S)-2-methyl-2-(methylamino)-4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanenitrile (2S)-2-methyl-2-(methylamino)-4-…
| 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) | 1.65 | 2.19 | -12.52 | 2 | 5 | 0 | 82 | 252.343 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.11 | 1.5 | -78.8 | 2 | 5 | 0 | 89 | 252.343 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | 3.48 | -60.3 | 3 | 5 | 1 | 86 | 253.351 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
