| 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) | 3.06 | 4.5 | -19 | 3 | 8 | 0 | 108 | 457.914 | 7 | ↓ |
| Ref Reference (pH 7) | 3.06 | 4.28 | -15.2 | 3 | 8 | 0 | 108 | 457.914 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.04 | 4 | -57.05 | 1 | 8 | -1 | 107 | 456.906 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.04 | 4.28 | -49.73 | 1 | 8 | -1 | 107 | 456.906 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 5.26 | -45.03 | 2 | 8 | -1 | 111 | 456.906 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.06 | 5.04 | -51.97 | 2 | 8 | -1 | 111 | 456.906 | 7 | ↓ |
