| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2009 | 20 | No |
Popular Name: (2R,3aS,7aR)-N-(1,1-dioxothian-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aS,7aR)-N-(1,1-dioxothian-4…
| 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) | 1.78 | 1.75 | -49.77 | 3 | 5 | 1 | 80 | 301.432 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.78 | 0.54 | -16.45 | 2 | 5 | 0 | 75 | 300.424 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
