| 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) | 2.89 | 5.62 | -37.98 | 3 | 2 | 1 | 29 | 233.379 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.89 | 4.26 | -2.09 | 2 | 2 | 0 | 24 | 232.371 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.89 | 5.53 | -34.3 | 3 | 2 | 1 | 29 | 233.379 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.89 | 6.88 | -118.45 | 4 | 2 | 2 | 33 | 234.387 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
