| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2011 | 13 | Yes |
Popular Name: (2S)-2-(2,4,6-trioxo-1,3,5-triazinan-1-yl)propanenitrile (2S)-2-(2,4,6-trioxo-1,3,5-triaz…
| 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) | -1.55 | -0.42 | -9.89 | 2 | 7 | 0 | 112 | 182.139 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.09 | -2.9 | -34.96 | 1 | 7 | -1 | 115 | 181.131 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.64 | -5.92 | -103.06 | 0 | 7 | -2 | 118 | 180.123 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
