| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 25 | Yes |
| 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) | -0.03 | 5.11 | -117.12 | 5 | 6 | 2 | 81 | 352.454 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.03 | 2.58 | -17.83 | 3 | 6 | 0 | 79 | 350.438 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.03 | 2.86 | -70.09 | 4 | 6 | 1 | 80 | 351.446 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
