| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 14 | 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) | -0.82 | 3.29 | -42.59 | 3 | 5 | 1 | 71 | 190.23 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.82 | 2.9 | -12.3 | 2 | 5 | 0 | 70 | 189.222 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.82 | 3.76 | -96.35 | 4 | 5 | 2 | 72 | 191.238 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
