| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2010 | 14 | Yes |
Popular Name: (2R,3aR,7aS)-2-(1H-1,2,4-triazol-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (2R,3aR,7aS)-2-(1H-1,2,4-triazol…
| 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) | 1.14 | 4.52 | -33.49 | 3 | 4 | 1 | 58 | 193.274 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | 4.32 | -31.04 | 2 | 4 | 0 | 56 | 192.266 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
