| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 17 | 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) | 2.47 | 4.52 | -40.47 | 3 | 3 | 1 | 38 | 235.351 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.47 | 3.18 | -3 | 2 | 3 | 0 | 33 | 234.343 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.47 | 4.29 | -37.41 | 3 | 3 | 1 | 38 | 235.351 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.47 | 5.63 | -124.25 | 4 | 3 | 2 | 42 | 236.359 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
