| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2009 | 39 | 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) | 3.82 | 11.36 | -59.18 | 3 | 9 | 0 | 126 | 537.657 | 15 | ↓ |
| Hi High (pH 8-9.5) | 3.82 | 9.05 | -48.81 | 2 | 9 | -1 | 125 | 536.649 | 15 | ↓ |
| Lo Low (pH 4.5-6) | 3.82 | 10.22 | -63.5 | 4 | 9 | 1 | 124 | 538.665 | 15 | ↓ |
