| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 16 | No |
Popular Name: (2S)-2-methyl-3-(4-methyl-3-nitro-phenyl)-3-oxo-propanenitrile (2S)-2-methyl-3-(4-methyl-3-nitr…
| 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) | 2.33 | 7.29 | -21.85 | 0 | 5 | 0 | 87 | 218.212 | 3 | ↓ |
