| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2008 | 27 | 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) | 1.42 | 5.15 | -40.19 | 6 | 9 | 1 | 129 | 368.373 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.42 | 5.18 | -47.78 | 5 | 9 | 0 | 132 | 367.365 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.42 | 4.68 | -50.58 | 4 | 9 | -1 | 130 | 366.357 | 1 | ↓ |
