| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 14 | Yes |
Popular Name: (1S,2R)-2-[cyclobutylmethyl(methyl)amino]cyclopentanecarbonitrile (1S,2R)-2-[cyclobutylmethyl(meth…
| 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) | 2.44 | 7.92 | -36.02 | 1 | 2 | 1 | 28 | 193.314 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.44 | 6.18 | -5.46 | 0 | 2 | 0 | 27 | 192.306 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
