| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 18 | Yes |
Popular Name: (1S,2S)-2-[(5-methylpyrazin-2-yl)methylamino]cycloheptanecarbonitrile (1S,2S)-2-[(5-methylpyrazin-2-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) | 2.31 | 4.6 | -10.69 | 1 | 4 | 0 | 62 | 244.342 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.31 | 5.38 | -44.39 | 2 | 4 | 1 | 66 | 245.35 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
