| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2008 | 33 | 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) | 3.06 | 10.94 | -11.32 | 0 | 8 | 0 | 67 | 452.555 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.07 | 12.74 | -21.14 | 1 | 8 | 0 | 77 | 452.555 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.07 | 14.09 | -64.38 | 2 | 8 | 1 | 78 | 453.563 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.07 | 10.51 | -43.82 | 2 | 8 | 1 | 78 | 453.563 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
