| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 17 | Yes |
Popular Name: (2R,3aR,7aS)-2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (2R,3aR,7aS)-2-(5-ethyl-2-methyl…
| 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) | 1.87 | 6.16 | -39.97 | 2 | 4 | 1 | 47 | 235.355 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.87 | 4.9 | -6.7 | 1 | 4 | 0 | 43 | 234.347 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
