| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 18 | Yes |
Popular Name: (1S,2R)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]cycloheptanecarbonitrile (1S,2R)-2-[[(2S)-1-ethylpyrrolid…
| 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) | 2.95 | 7.04 | -37.75 | 2 | 3 | 1 | 40 | 250.41 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.95 | 4.71 | -5.55 | 1 | 3 | 0 | 39 | 249.402 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.95 | 8.01 | -117.23 | 3 | 3 | 2 | 45 | 251.418 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
