| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 17 | Yes |
Popular Name: (1R,2R)-2-[[(2S)-tetrahydropyran-2-yl]methylamino]cycloheptanecarbonitrile (1R,2R)-2-[[(2S)-tetrahydropyran…
| 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) | 3.04 | 6.6 | -38.57 | 2 | 3 | 1 | 50 | 237.367 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.04 | 5.72 | -7.58 | 1 | 3 | 0 | 45 | 236.359 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
