| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 2006 | 26 | 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) | 2.79 | 3.99 | -11.58 | 3 | 6 | 0 | 89 | 369.808 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 3.77 | -59.91 | 1 | 6 | -1 | 88 | 368.8 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 4.36 | -54.51 | 1 | 6 | -1 | 88 | 368.8 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.79 | 4.81 | -44.51 | 2 | 6 | -1 | 92 | 368.8 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.79 | 4.77 | -51.39 | 2 | 6 | -1 | 92 | 368.8 | 4 | ↓ |
