| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 19th, 2010 | 19 | Yes |
Popular Name: 2-[[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]methyl]-6-bromo-phenol 2-[[[(1R,8aR)-1,2,3,5,6,7,8,8a-o…
| 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) | 3.03 | 5.53 | -31.77 | 3 | 3 | 1 | 37 | 326.258 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.03 | 5.38 | -30.83 | 2 | 3 | 0 | 43 | 325.25 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.03 | 4.54 | -39.33 | 3 | 3 | 1 | 40 | 326.258 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.03 | 6.8 | -112.8 | 4 | 3 | 2 | 41 | 327.266 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
