| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 33 | No |
| 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) | 3.37 | 9.95 | -67.18 | 1 | 7 | 0 | 83 | 456.514 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.37 | 7.63 | -58.55 | 0 | 7 | -1 | 82 | 455.506 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 3.37 | 9.13 | -47.9 | 2 | 7 | 1 | 81 | 457.522 | 10 | ↓ |
