| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2010 | 19 | Yes |
Popular Name: 4-[[[(1S,3S)-1-(hydroxymethyl)-3-methyl-cyclohexyl]amino]methyl]benzonitrile 4-[[[(1S,3S)-1-(hydroxymethyl)-3…
| 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) | 2.60 | 6.08 | -43.74 | 3 | 3 | 1 | 61 | 259.373 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.60 | 4.88 | -6.08 | 2 | 3 | 0 | 56 | 258.365 | 4 | ↓ |
