| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2010 | 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) | 3.52 | 7.45 | -53.54 | 3 | 6 | 1 | 84 | 407.49 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.52 | 8.21 | -45.83 | 2 | 6 | 0 | 87 | 406.482 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.52 | 5.31 | -15.23 | 2 | 6 | 0 | 83 | 406.482 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
