| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 18 | Yes |
Popular Name: (1R,2S)-2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]cyclohexanecarbonitrile (1R,2S)-2-[[(1R,8aR)-1,2,3,5,6,7…
| 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) | 2.70 | 7.17 | -35.99 | 2 | 3 | 1 | 40 | 248.394 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.70 | 4.92 | -8.15 | 1 | 3 | 0 | 39 | 247.386 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.70 | 8.25 | -118.33 | 3 | 3 | 2 | 45 | 249.402 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.70 | 5.98 | -42.41 | 2 | 3 | 1 | 44 | 248.394 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
