| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 20 | Yes |
Popular Name: (1R,2R,4S)-2-[cyclopropyl(3-thienylmethyl)amino]-4-ethyl-cyclohexanecarbonitrile (1R,2R,4S)-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) | 3.94 | 10.52 | -43.65 | 1 | 2 | 1 | 28 | 289.468 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.94 | 9.12 | -5.17 | 0 | 2 | 0 | 27 | 288.46 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
