| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 21 | Yes |
Popular Name: (2R,3aR,7aS)-1-(4-chloro-2-cyano-phenyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2R,3aR,7aS)-1-(4-chloro-2-cyano…
| 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) | 2.98 | 9.98 | -22.22 | 1 | 4 | 0 | 68 | 304.777 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.98 | 10.32 | -55.36 | 0 | 4 | -1 | 67 | 303.769 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
