| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 19 | Yes |
Popular Name: (1S,2S)-2-[(2-methoxy-3-pyridyl)methylamino]cycloheptanecarbonitrile (1S,2S)-2-[(2-methoxy-3-pyridyl)…
| 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) | 2.67 | 4.44 | -8.04 | 1 | 4 | 0 | 58 | 259.353 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.67 | 5.24 | -40.38 | 2 | 4 | 1 | 63 | 260.361 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
