| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 20 | Yes |
Popular Name: 1-[[(2S)-2-cyanopropyl]-methyl-amino]isoquinoline-3-carboxylic 1-[[(2S)-2-cyanopropyl]-methyl-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) | 2.84 | 9.62 | -36.28 | 1 | 5 | 0 | 81 | 269.304 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.84 | 9.22 | -57.92 | 0 | 5 | -1 | 80 | 268.296 | 4 | ↓ |
