| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 32 | 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) | 3.22 | 6.5 | -44.56 | 4 | 7 | 1 | 98 | 432.5 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 7.03 | -54.95 | 2 | 7 | -1 | 100 | 430.484 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.22 | 6.75 | -84.93 | 5 | 7 | 2 | 99 | 433.508 | 6 | ↓ |
