| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 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) | 3.16 | 4.77 | -17.05 | 3 | 8 | 0 | 108 | 457.914 | 7 | ↓ |
| Ref Reference (pH 7) | 3.16 | 4.4 | -16.53 | 3 | 8 | 0 | 108 | 457.914 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 4.98 | -46.18 | 1 | 8 | -1 | 107 | 456.906 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 4.69 | -56.99 | 1 | 8 | -1 | 107 | 456.906 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 5.54 | -42.53 | 2 | 8 | -1 | 111 | 456.906 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 5.17 | -53.54 | 2 | 8 | -1 | 111 | 456.906 | 7 | ↓ |
