| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 18 | Yes |
Popular Name: (1S,2R)-2-[[(1R)-1-methyl-2-pyrrolidin-1-yl-ethyl]amino]cycloheptanecarbonitrile (1S,2R)-2-[[(1R)-1-methyl-2-pyrr…
| 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) | 2.92 | 8.76 | -32.84 | 2 | 3 | 1 | 40 | 250.41 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.92 | 6.24 | -5.06 | 1 | 3 | 0 | 39 | 249.402 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.92 | 8.35 | -112.94 | 3 | 3 | 2 | 45 | 251.418 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
