In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 12th, 2011 | 14 | Yes |
Popular Name: (2R)-1-[(2S,3R,6S)-6-ethyl-2,3-dimethyl-piperazin-1-yl]propan-2-ol (2R)-1-[(2S,3R,6S)-6-ethyl-2,3-d…
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) | 1.25 | 0.71 | -33.78 | 3 | 3 | 1 | 40 | 201.334 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.25 | -0.55 | -2.04 | 2 | 3 | 0 | 35 | 200.326 | 3 | ↓ |