| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 17 | Yes |
Popular Name: (1S,2R)-2-[(1-methylpyrazol-4-yl)methylamino]cycloheptanecarbonitrile (1S,2R)-2-[(1-methylpyrazol-4-yl…
| 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) | 1.93 | 6.03 | -46.7 | 2 | 4 | 1 | 58 | 233.339 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.93 | 5.12 | -11.61 | 1 | 4 | 0 | 54 | 232.331 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
