In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 7th, 2010 | 21 | Yes |
Popular Name: N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2,4-dibromo-benzenesulfonamide N-[(1R,8aR)-1,2,3,5,6,7,8,8a-oct…
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) | 3.60 | 6.61 | -40 | 2 | 4 | 1 | 51 | 439.193 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.60 | 6.42 | -29.95 | 1 | 4 | 0 | 53 | 438.185 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.60 | 4.36 | -6.19 | 1 | 4 | 0 | 49 | 438.185 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.