| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 13th, 2008 | 32 | 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) | 3.75 | 11.15 | -120.33 | 0 | 8 | -2 | 119 | 453.834 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.17 | 10.09 | -74.66 | 0 | 8 | -1 | 113 | 454.842 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.75 | 8.78 | -79.36 | 1 | 8 | -1 | 116 | 454.842 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
