| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 2006 | 27 | 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) | 2.54 | 3.86 | -16.11 | 3 | 6 | 0 | 89 | 367.38 | 5 | ↓ |
| Ref Reference (pH 7) | 2.54 | 4.5 | -17.18 | 3 | 6 | 0 | 89 | 367.38 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.52 | 4.17 | -58.01 | 1 | 6 | -1 | 88 | 366.372 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.52 | 4.64 | -44.56 | 1 | 6 | -1 | 88 | 366.372 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.54 | 4.69 | -40.08 | 2 | 6 | -1 | 92 | 366.372 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.54 | 4.64 | -55.77 | 2 | 6 | -1 | 92 | 366.372 | 5 | ↓ |
