| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2008 | 30 | 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) | 4.22 | 10.5 | -41.99 | 1 | 6 | 1 | 60 | 453.698 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.22 | 8.43 | -12.41 | 0 | 6 | 0 | 58 | 452.69 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 4.22 | 10.91 | -99.04 | 2 | 6 | 2 | 61 | 454.706 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
