| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 24 | 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) | 2.77 | -9.12 | -16.92 | 2 | 6 | 0 | 92 | 360.416 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | -8.56 | -46.09 | 1 | 6 | -1 | 94 | 359.408 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | -8.6 | -43.24 | 1 | 6 | -1 | 94 | 359.408 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | -8.04 | -97.17 | 0 | 6 | -2 | 96 | 358.4 | 3 | ↓ |
