| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2008 | 30 | 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) | 2.22 | 7.86 | -18.72 | 2 | 9 | 0 | 114 | 403.446 | 4 | ↓ |
| Ref Reference (pH 7) | 2.04 | 10.64 | -16.9 | 2 | 9 | 0 | 111 | 403.446 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.22 | 7.36 | -51.1 | 1 | 9 | -1 | 112 | 402.438 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 10.15 | -43.86 | 1 | 9 | -1 | 109 | 402.438 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.04 | 10.64 | -15.89 | 2 | 9 | 0 | 111 | 403.446 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.22 | 7.84 | -17.14 | 2 | 9 | 0 | 114 | 403.446 | 4 | ↓ |
