| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 2007 | 31 | 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) | 3.10 | 4.15 | -15.84 | 3 | 8 | 0 | 108 | 443.887 | 6 | ↓ |
| Ref Reference (pH 7) | 3.10 | 3.92 | -11.79 | 3 | 8 | 0 | 108 | 443.887 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.08 | 4.42 | -51.06 | 1 | 8 | -1 | 107 | 442.879 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.08 | 3.59 | -57.84 | 1 | 8 | -1 | 107 | 442.879 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.10 | 4.91 | -43.94 | 2 | 8 | -1 | 111 | 442.879 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.10 | 4.68 | -48.25 | 2 | 8 | -1 | 111 | 442.879 | 6 | ↓ |
