| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 19 | Yes |
Popular Name: 4-[[(1R,2R)-2-cyanocycloheptyl]amino]cyclohexanecarboxamide 4-[[(1R,2R)-2-cyanocycloheptyl]a…
| 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 | 4.34 | -41.51 | 4 | 4 | 1 | 83 | 264.393 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.19 | 3.7 | -14.38 | 3 | 4 | 0 | 79 | 263.385 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
