| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2008 | 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) | 2.33 | 6.83 | -55.21 | 3 | 7 | 1 | 80 | 402.494 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.33 | 5.34 | -21.81 | 2 | 7 | 0 | 79 | 401.486 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.33 | 6.8 | -92.7 | 4 | 7 | 2 | 82 | 403.502 | 7 | ↓ |
