| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2010 | 18 | No |
Popular Name: (2S)-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pentanethioamide (2S)-2-[4-(2-hydroxyethyl)pipera…
| 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) | -0.35 | -0.5 | -7.56 | 3 | 5 | 0 | 70 | 273.402 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.35 | 1.8 | -38.27 | 4 | 5 | 1 | 71 | 274.41 | 6 | ↓ |
