| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2010 | 19 | Yes |
Popular Name: (1R,2R,4S)-4-ethyl-2-[methyl-[(2-methylthiazol-4-yl)methyl]amino]cyclohexanecarbonitrile (1R,2R,4S)-4-ethyl-2-[methyl-[(2…
| 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) | 2.87 | 8.7 | -45.4 | 1 | 3 | 1 | 41 | 278.445 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.87 | 7.16 | -7.03 | 0 | 3 | 0 | 40 | 277.437 | 4 | ↓ |
