| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2008 | 20 | 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) | 0.71 | 2.92 | -44.79 | 3 | 7 | 1 | 95 | 279.32 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.71 | 3.83 | -48.18 | 3 | 7 | 1 | 91 | 279.32 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.71 | 5.22 | -125.41 | 4 | 7 | 2 | 96 | 280.328 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
