| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 16 | Yes |
Popular Name: (1S,2R)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]cyclopentanecarbonitrile (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) | 1.94 | 6.7 | -28.66 | 2 | 3 | 1 | 40 | 222.356 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 4.91 | -5.01 | 1 | 3 | 0 | 39 | 221.348 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.94 | 7.87 | -107.78 | 3 | 3 | 2 | 45 | 223.364 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
