| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 18 | Yes |
Popular Name: (1S,2R)-2-[[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]amino]cycloheptanecarbonitrile (1S,2R)-2-[[(1R)-1-(4-methyl-1,2…
| 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) | 1.74 | 7.72 | -47.99 | 2 | 5 | 1 | 71 | 248.354 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 6.88 | -18.42 | 1 | 5 | 0 | 67 | 247.346 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
