| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 19th, 2013 | 59 | 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) | 5.59 | 13.58 | -35.45 | 4 | 13 | 1 | 155 | 811.997 | 10 | ↓ |
| Hi High (pH 8-9.5) | 5.59 | 12.67 | -12.46 | 3 | 13 | 0 | 154 | 810.989 | 10 | ↓ |
| Mid Mid (pH 6-8) | 5.59 | 16.32 | -96.32 | 5 | 13 | 2 | 157 | 813.005 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.