| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2006 | 25 | 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) | 6.59 | 13.62 | -22.68 | 2 | 3 | 1 | 31 | 342.551 | 5 | ↓ |
| Hi High (pH 8-9.5) | 6.59 | 13.18 | -6.97 | 1 | 3 | 0 | 29 | 341.543 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 6.59 | 13.63 | -86.76 | 3 | 3 | 2 | 35 | 343.559 | 5 | ↓ |
