| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2008 | 31 | No |
| 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) | 4.33 | 11.09 | -15.04 | 1 | 7 | 0 | 101 | 484.302 | 6 | ↓ |
| Ref Reference (pH 7) | 4.33 | 11.07 | -13.71 | 1 | 7 | 0 | 101 | 484.302 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.33 | 12.07 | -53.5 | 0 | 7 | -1 | 104 | 483.294 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.33 | 12.09 | -55.68 | 0 | 7 | -1 | 104 | 483.294 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.33 | 12.12 | -56.46 | 0 | 7 | -1 | 104 | 483.294 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
