| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 16 | Yes |
Popular Name: (1S,2R)-2-[[(3R)-1-methylpyrrolidin-3-yl]amino]cycloheptanecarbonitrile (1S,2R)-2-[[(3R)-1-methylpyrroli…
| 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) | 2.31 | 6.02 | -38.19 | 2 | 3 | 1 | 40 | 222.356 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 3.21 | -5.91 | 1 | 3 | 0 | 39 | 221.348 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
