| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 20 | Yes |
Popular Name: (1S,2S,4R)-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-4-propyl-cyclohexanol (1S,2S,4R)-2-[[methyl-[(1-methyl…
| 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) | 2.51 | 7.02 | -38.75 | 2 | 4 | 1 | 42 | 280.436 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.51 | 5.01 | -5.96 | 1 | 4 | 0 | 41 | 279.428 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
