| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 17 | Yes |
Popular Name: (1S,2R)-2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]cyclohexanecarbonitrile (1S,2R)-2-[[(1R,8R)-2,3,5,6,7,8-…
| 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) | 2.19 | 6.74 | -38.05 | 2 | 3 | 1 | 40 | 234.367 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.19 | 4.24 | -5.63 | 1 | 3 | 0 | 39 | 233.359 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.19 | 4.95 | -45.02 | 2 | 3 | 1 | 44 | 234.367 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.19 | 7.43 | -114.16 | 3 | 3 | 2 | 45 | 235.375 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
