| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 21 | Yes |
Popular Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-N-isobutyl-acetamide 2-[4-[(5-chloro-2-thienyl)methyl…
None
| 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) | 3.06 | 6.41 | -41.92 | 2 | 4 | 1 | 37 | 330.905 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 4.19 | -9.35 | 1 | 4 | 0 | 36 | 329.897 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.06 | 6.44 | -40.32 | 2 | 4 | 1 | 37 | 330.905 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
