| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2010 | 15 | Yes |
Popular Name: 4-[[(1S,3R)-1-(hydroxymethyl)-3-methyl-cyclohexyl]amino]butanenitrile 4-[[(1S,3R)-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) | 1.18 | 3.52 | -45.77 | 3 | 3 | 1 | 61 | 211.329 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 2.3 | -8.47 | 2 | 3 | 0 | 56 | 210.321 | 5 | ↓ |
