| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2008 | 27 | No |
None
| 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) | 2.96 | 8.9 | -15.37 | 1 | 8 | 0 | 109 | 384.417 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.49 | 8.61 | -38.98 | 0 | 8 | -1 | 111 | 383.409 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.49 | 9.77 | -43.62 | 2 | 8 | 1 | 110 | 385.425 | 7 | ↓ |
