| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2007 | 32 | 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) | 3.13 | 2.92 | -17.54 | 4 | 8 | 0 | 119 | 457.914 | 7 | ↓ |
| Ref Reference (pH 7) | 3.13 | 2.79 | -15.32 | 4 | 8 | 0 | 119 | 457.914 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.11 | 3.3 | -54.74 | 2 | 8 | -1 | 118 | 456.906 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.11 | 3.16 | -48.95 | 2 | 8 | -1 | 118 | 456.906 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.13 | 3.68 | -42 | 3 | 8 | -1 | 122 | 456.906 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.13 | 3.55 | -53.15 | 3 | 8 | -1 | 122 | 456.906 | 7 | ↓ |
