| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2011 | 20 | Yes |
Popular Name: 2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-4-chloro-benzoic 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) | 4.20 | 9.01 | -56.72 | 2 | 4 | 0 | 57 | 294.782 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.20 | 6.86 | -42.95 | 1 | 4 | -1 | 55 | 293.774 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
