| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2010 | 20 | No |
Popular Name: (2S)-3-(4-benzylpiperazin-1-yl)-2-methyl-3-oxo-propanethioamide (2S)-3-(4-benzylpiperazin-1-yl)-…
| 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) | 0.62 | 4.49 | -17.22 | 2 | 4 | 0 | 50 | 291.42 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.62 | 6.71 | -55.81 | 3 | 4 | 1 | 51 | 292.428 | 4 | ↓ |
