| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 20 | Yes |
Popular Name: (1R,2S,4R)-4-methyl-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclohexanecarbonitrile (1R,2S,4R)-4-methyl-2-[(5-methyl…
| 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) | 4.33 | 9.22 | -9.87 | 1 | 3 | 0 | 52 | 285.416 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.33 | 9.09 | -24.81 | 2 | 3 | 1 | 54 | 286.424 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
