| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 21 | Yes |
Popular Name: 3-[[[(2S)-2-cyanopropyl]-ethyl-amino]methyl]benzothiophene-2-carboxylic 3-[[[(2S)-2-cyanopropyl]-ethyl-a…
| 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) | 3.36 | 10.47 | -49.62 | 1 | 4 | 0 | 68 | 302.399 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.36 | 8.62 | -51.29 | 0 | 4 | -1 | 67 | 301.391 | 6 | ↓ |
