| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 21st, 2009 | 28 | No |
None
| 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) | 3.06 | 6.88 | -126.45 | 2 | 7 | -2 | 138 | 380.352 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 11.65 | -233.44 | 0 | 7 | -3 | 137 | 379.344 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 9.59 | -258.91 | 1 | 7 | -3 | 141 | 379.344 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.31 | 9.65 | -74.15 | 2 | 7 | -1 | 132 | 381.36 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
