In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 23 | Yes |
Popular Name: (2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[(1R,5S)-3,3,5-trimethylcyclohexoxy]propan-2-ol (2S)-1-[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) | 1.51 | 2.24 | -33.45 | 3 | 5 | 1 | 57 | 329.505 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.51 | 2.23 | -37.4 | 3 | 5 | 1 | 57 | 329.505 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.51 | -0.05 | -6.67 | 2 | 5 | 0 | 56 | 328.497 | 7 | ↓ |