| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 16 | Yes |
Popular Name: (1S,2R)-2-[[(2S)-tetrahydrofuran-2-yl]methylamino]cycloheptanecarbonitrile (1S,2R)-2-[[(2S)-tetrahydrofuran…
| 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) | 2.53 | 5.55 | -42.55 | 2 | 3 | 1 | 50 | 223.34 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.53 | 4.61 | -6.88 | 1 | 3 | 0 | 45 | 222.332 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
