| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 20 | Yes |
Popular Name: (1S)-2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-(3-bromophenyl)ethanol (1S)-2-[[(1S,8aR)-1,2,3,5,6,7,8,…
| 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) | 2.74 | 4.63 | -44.67 | 3 | 3 | 1 | 40 | 340.285 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.74 | 3.51 | -3.15 | 2 | 3 | 0 | 35 | 339.277 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.74 | 5.77 | -32.97 | 3 | 3 | 1 | 37 | 340.285 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
