| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 16 | Yes |
Popular Name: (1S,2S)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexanecarbonitrile (1S,2S)-2-[(3-methyl-1,2,4-oxadi…
| 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) | 1.13 | 3.33 | -50.71 | 2 | 5 | 1 | 79 | 221.284 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.13 | 2.3 | -11.98 | 1 | 5 | 0 | 75 | 220.276 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
