| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 2006 | 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) | 3.62 | 6.13 | -16.25 | 3 | 6 | 0 | 89 | 423.538 | 6 | ↓ |
| Ref Reference (pH 7) | 3.62 | 6.23 | -16.15 | 3 | 6 | 0 | 89 | 423.538 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.62 | 7.05 | -41.42 | 2 | 6 | -1 | 92 | 422.53 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.39 | 6.99 | -45.77 | 1 | 6 | -1 | 88 | 422.53 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.39 | 6.5 | -57.39 | 1 | 6 | -1 | 88 | 422.53 | 6 | ↓ |
