| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 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) | 1.40 | 3.94 | -33.59 | 3 | 3 | 1 | 44 | 234.367 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 3.42 | -3.11 | 2 | 3 | 0 | 42 | 233.359 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 5.65 | -29.55 | 3 | 3 | 1 | 43 | 234.367 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.40 | 6.16 | -97.17 | 4 | 3 | 2 | 45 | 235.375 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.40 | 4.2 | -104.96 | 4 | 3 | 2 | 45 | 235.375 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
