| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2011 | 20 | Yes |
Popular Name: 2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-4-amino-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) | 2.60 | 6.35 | -64.56 | 4 | 5 | 0 | 83 | 275.352 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.60 | 4.22 | -51.29 | 3 | 5 | -1 | 81 | 274.344 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.60 | 4.36 | -36.6 | 5 | 5 | 1 | 80 | 276.36 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
