| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2010 | 17 | Yes |
Popular Name: (2S)-2-(ethylamino)-2-methyl-3-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanenitrile (2S)-2-(ethylamino)-2-methyl-3-[…
| 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) | 1.75 | 2.59 | -11.47 | 2 | 5 | 0 | 82 | 252.343 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.21 | 0.63 | -47.04 | 1 | 5 | -1 | 85 | 251.335 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.75 | 3.74 | -53.2 | 3 | 5 | 1 | 86 | 253.351 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
