| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2009 | 13 | Yes |
Popular Name: (2S)-2-methyl-3-(3-pyridylmethylamino)propanenitrile (2S)-2-methyl-3-(3-pyridylmethyl…
| 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) | 0.79 | 3.36 | -8.04 | 1 | 3 | 0 | 49 | 175.235 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.79 | 4.58 | -56.52 | 2 | 3 | 1 | 53 | 176.243 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP1021186A1 | IBM Patent Data |
