| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 20 | Yes |
Popular Name: (1S,2S,4R)-2-[[ethyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]methyl]-4-propyl-cyclohexanol (1S,2S,4R)-2-[[ethyl-[[(2S)-tetr…
| 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) | 3.48 | 7.41 | -31.13 | 2 | 3 | 1 | 34 | 284.464 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.48 | 5.18 | -3.93 | 1 | 3 | 0 | 33 | 283.456 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
