| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2010 | 15 | Yes |
Popular Name: 3-[(2R,3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-1,4-dihydro-1,2,4-triazol-5-one 3-[(2R,3aS,7aR)-2,3,3a,4,5,6,7,7…
| 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) | 0.79 | 1.89 | -48.85 | 4 | 5 | 1 | 78 | 209.273 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.79 | 0.51 | -6.97 | 3 | 5 | 0 | 74 | 208.265 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.24 | -0.16 | -43.2 | 3 | 5 | 0 | 81 | 208.265 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
