| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 20 | Yes |
Popular Name: 3-[4-[(2S)-2-hydroxy-3,3-dimethyl-butyl]piperazin-1-yl]-2,2-dimethyl-3-oxo-propanenitrile 3-[4-[(2S)-2-hydroxy-3,3-dimethy…
| 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) | 1.56 | 2.42 | -13.43 | 1 | 5 | 0 | 68 | 281.4 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.56 | 4.63 | -57.38 | 2 | 5 | 1 | 69 | 282.408 | 4 | ↓ |
