| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2010 | 17 | Yes |
Popular Name: (2S)-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3-methyl-butanenitrile (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) | 0.96 | 0.58 | -8.26 | 1 | 5 | 0 | 68 | 239.319 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.96 | 2.87 | -39.14 | 2 | 5 | 1 | 69 | 240.327 | 4 | ↓ |
