| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 2006 | 27 | 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) | 3.38 | 6.32 | -10.01 | 2 | 6 | 0 | 78 | 383.835 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.36 | 6.51 | -51.38 | 0 | 6 | -1 | 77 | 382.827 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.36 | 6.68 | -43.94 | 0 | 6 | -1 | 77 | 382.827 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.38 | 7.19 | -46.86 | 1 | 6 | -1 | 81 | 382.827 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.38 | 7.1 | -49.74 | 1 | 6 | -1 | 81 | 382.827 | 5 | ↓ |
