| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 18 | Yes |
Popular Name: (2R,3aS,7aS)-2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (2R,3aS,7aS)-2-(2-methyl-5-propy…
| 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) | 2.37 | 7.02 | -37.79 | 2 | 4 | 1 | 47 | 249.382 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.37 | 5.78 | -6.15 | 1 | 4 | 0 | 43 | 248.374 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
