| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 13th, 2008 | 30 | 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) | 4.37 | 12.56 | -133.64 | 0 | 6 | -2 | 101 | 403.434 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.78 | 11.56 | -79.82 | 0 | 6 | -1 | 95 | 404.442 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.37 | 10.24 | -86.71 | 1 | 6 | -1 | 98 | 404.442 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
