| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2009 | 17 | Yes |
Popular Name: (2R,3aS,7aR)-N-(2,2,2-trifluoroethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aS,7aR)-N-(2,2,2-trifluoroe…
| 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) | 2.92 | 3.5 | -38.74 | 3 | 3 | 1 | 46 | 251.272 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.92 | 2.3 | -7.15 | 2 | 3 | 0 | 41 | 250.264 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.10 | 1.07 | -29.86 | 2 | 3 | 0 | 52 | 250.264 | 3 | ↓ |
