| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 5th, 2007 | 24 | 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) | 2.06 | 9.67 | -15.95 | 1 | 6 | 0 | 73 | 341.44 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.24 | 9.56 | -41.82 | 0 | 6 | -1 | 74 | 340.432 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.01 | -3.33 | -39.47 | 1 | 6 | 1 | 74 | 342.448 | 2 | ↓ |
