| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 21 | Yes |
Popular Name: 1-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-2-(ethylamino)-2-methyl-propan-1-one 1-[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) | 2.62 | 5.54 | -42.75 | 2 | 4 | 1 | 40 | 330.905 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.62 | 5.43 | -5.89 | 1 | 4 | 0 | 36 | 329.897 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
