| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 21 | Yes |
Popular Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-[(2S)-2-piperidyl]methanone [4-[(5-chloro-2-thienyl)methyl]p…
| 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) | 2.34 | 5.61 | -37.23 | 2 | 4 | 1 | 40 | 328.889 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.34 | 4.37 | -9.56 | 1 | 4 | 0 | 36 | 327.881 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.34 | 7.84 | -99.88 | 3 | 4 | 2 | 41 | 329.897 | 3 | ↓ |
