| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2011 | 17 | No |
Popular Name: 3-[4-(2-dimethylaminoethyl)piperazin-1-yl]-3-oxo-propanethioamide 3-[4-(2-dimethylaminoethyl)piper…
| 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) | -1.23 | 2.52 | -51.02 | 3 | 5 | 1 | 54 | 259.399 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.23 | 0.04 | -17.19 | 2 | 5 | 0 | 53 | 258.391 | 5 | ↓ |
