| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 2006 | 29 | 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) | 3.35 | 5.9 | -12.73 | 3 | 6 | 0 | 89 | 409.511 | 5 | ↓ |
| Ref Reference (pH 7) | 3.35 | 5.89 | -12.15 | 3 | 6 | 0 | 89 | 409.511 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.35 | 6.61 | -41.88 | 2 | 6 | -1 | 92 | 408.503 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.12 | 6.25 | -47.43 | 1 | 6 | -1 | 88 | 408.503 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.12 | 5.81 | -60.27 | 1 | 6 | -1 | 88 | 408.503 | 5 | ↓ |
