| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 17 | Yes |
Popular Name: (1R,2R)-2-(3-morpholinopropylamino)cyclopentanecarbonitrile (1R,2R)-2-(3-morpholinopropylami…
| 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) | 1.29 | 3.62 | -49.94 | 2 | 4 | 1 | 53 | 238.355 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.29 | 2.5 | -7.27 | 1 | 4 | 0 | 48 | 237.347 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.29 | 5.89 | -117.75 | 3 | 4 | 2 | 54 | 239.363 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.29 | 4.77 | -40.54 | 2 | 4 | 1 | 49 | 238.355 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
