| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 14th, 2010 | 18 | Yes |
Popular Name: 4-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]butanenitrile 4-[4-[(5-chloro-2-thienyl)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) | 2.06 | 5.3 | -8.03 | 0 | 3 | 0 | 30 | 283.828 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.06 | 7.56 | -45.05 | 1 | 3 | 1 | 31 | 284.836 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.06 | 7.55 | -49.93 | 1 | 3 | 1 | 31 | 284.836 | 5 | ↓ |
