| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2011 | 20 | 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) | 1.12 | 3.31 | -37.15 | 3 | 5 | 1 | 55 | 282.408 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.12 | 2.2 | -43.74 | 3 | 5 | 1 | 58 | 282.408 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.12 | 1.06 | -7.48 | 2 | 5 | 0 | 54 | 281.4 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.12 | 4.46 | -112.52 | 4 | 5 | 2 | 59 | 283.416 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
