| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 12th, 2011 | 42 | No |
Popular Name: 2-[[(1S,2R,3S,4S,5S)-2,3,4-tribenzyl-5-hydroxy-5-phenethyl-cyclohexyl]amino]propane-1,3-diol 2-[[(1S,2R,3S,4S,5S)-2,3,4-tribe…
| 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) | 7.21 | 14.13 | -45.76 | 5 | 4 | 1 | 77 | 564.79 | 13 | ↓ |
| Hi High (pH 8-9.5) | 7.21 | 14.15 | -8.21 | 4 | 4 | 0 | 73 | 563.782 | 13 | ↓ |
No pre-computed analogs available. Try a structural similarity search.