| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2011 | 35 | 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) | 2.92 | 12.15 | -123.53 | 3 | 8 | 2 | 89 | 467.529 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.92 | 10.27 | -18.07 | 1 | 8 | 0 | 83 | 465.513 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.92 | 11.64 | -72.96 | 2 | 8 | 1 | 88 | 466.521 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.92 | 10.78 | -43.44 | 2 | 8 | 1 | 84 | 466.521 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
