| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2010 | 18 | Yes |
Popular Name: (2S)-2-(ethylamino)-2-methyl-4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanenitrile (2S)-2-(ethylamino)-2-methyl-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) | 2.03 | 3.09 | -13.91 | 2 | 5 | 0 | 82 | 266.37 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.48 | 2.33 | -75.83 | 2 | 5 | 0 | 89 | 266.37 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.03 | 4.32 | -58.43 | 3 | 5 | 1 | 86 | 267.378 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.02 | 4.71 | -104.67 | 4 | 5 | 2 | 87 | 268.386 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
