| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2010 | 18 | No |
Popular Name: (2S)-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3-methyl-butanethioamide (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) | 0.09 | -0.73 | -7.18 | 3 | 5 | 0 | 70 | 273.402 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.09 | 1.91 | -49.98 | 4 | 5 | 1 | 71 | 274.41 | 5 | ↓ |
