| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 20 | Yes |
Popular Name: 2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-(azepan-1-yl)ethanone 2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-oc…
| 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) | 1.91 | 8.31 | -112.34 | 3 | 4 | 2 | 41 | 281.444 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | 7.16 | -36.66 | 2 | 4 | 1 | 37 | 280.436 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | 6.05 | -42.12 | 2 | 4 | 1 | 40 | 280.436 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | 4.9 | -7.11 | 1 | 4 | 0 | 36 | 279.428 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
