| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 17 | Yes |
Popular Name: (1S,2R)-2-(2-pyrrolidin-1-ylethylamino)cycloheptanecarbonitrile (1S,2R)-2-(2-pyrrolidin-1-ylethy…
| 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) | 2.59 | 6.81 | -36.91 | 2 | 3 | 1 | 40 | 236.383 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.59 | 4.34 | -4.74 | 1 | 3 | 0 | 39 | 235.375 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.59 | 7.69 | -118.65 | 3 | 3 | 2 | 45 | 237.391 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
