| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 20 | Yes |
Popular Name: 3-[[[(2S)-2-cyanopropyl]-methyl-amino]methyl]benzofuran-2-carboxylic 3-[[[(2S)-2-cyanopropyl]-methyl-…
| 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) | 2.34 | 9.35 | -53.75 | 1 | 5 | 0 | 81 | 272.304 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.34 | 7.31 | -51.94 | 0 | 5 | -1 | 80 | 271.296 | 5 | ↓ |
