| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 15 | Yes |
Popular Name: (1S,2S)-2-[[(2S)-tetrahydropyran-2-yl]methylamino]cyclopentanecarbonitrile (1S,2S)-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) | 2.03 | 5.5 | -43.8 | 2 | 3 | 1 | 50 | 209.313 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.03 | 4.34 | -5.28 | 1 | 3 | 0 | 45 | 208.305 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
