| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 25th, 2008 | 25 | Yes |
Popular Name: 1-butyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 1-butyl-3-[4-(2-hydroxyethyl)pip…
| 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) | 3.29 | 5.68 | -8.41 | 1 | 5 | 0 | 63 | 342.487 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.29 | 8.04 | -36.61 | 2 | 5 | 1 | 65 | 343.495 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.29 | 6.04 | -35.43 | 2 | 5 | 1 | 65 | 343.495 | 6 | ↓ |
