| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 19 | Yes |
Popular Name: (1R,2R,4R)-2-[cyclopropyl(3-thienylmethyl)amino]-4-methyl-cyclohexanecarbonitrile (1R,2R,4R)-2-[cyclopropyl(3-thie…
| 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) | 3.26 | 9.87 | -38.62 | 1 | 2 | 1 | 28 | 275.441 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.26 | 7.61 | -4.89 | 0 | 2 | 0 | 27 | 274.433 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
