| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 19 | Yes |
Popular Name: (1S,2R)-2-[[(2S)-2-hydroxy-2-phenyl-ethyl]amino]cycloheptanecarbonitrile (1S,2R)-2-[[(2S)-2-hydroxy-2-phe…
| 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) | 2.97 | 4.99 | -8.58 | 2 | 3 | 0 | 56 | 258.365 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.97 | 5.87 | -45.65 | 3 | 3 | 1 | 61 | 259.373 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
