In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 21 | Yes |
Popular Name: N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1,1-dioxo-1,2-benzothiazol-3-amine N-[(1S,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) | 1.08 | 5.09 | -52.93 | 2 | 5 | 1 | 63 | 306.411 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.08 | 2.96 | -18.43 | 1 | 5 | 0 | 62 | 305.403 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.