| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 23 | Yes |
Popular Name: (2S)-N-(1-cyanocyclohexyl)-2-[methyl(o-tolylmethyl)amino]propanamide (2S)-N-(1-cyanocyclohexyl)-2-[me…
| 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) | 3.34 | 9.07 | -43.44 | 2 | 4 | 1 | 57 | 314.453 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.52 | 4.8 | -41.55 | 0 | 4 | -1 | 62 | 312.437 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.34 | 7.03 | -15.2 | 1 | 4 | 0 | 56 | 313.445 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
