| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 16 | 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 | 7.66 | -109.48 | 3 | 2 | 2 | 21 | 226.408 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 6.36 | -30.83 | 2 | 2 | 1 | 16 | 225.4 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 6.02 | -37.18 | 2 | 2 | 1 | 20 | 225.4 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 4.79 | -0.18 | 1 | 2 | 0 | 15 | 224.392 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
