| 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) | 3.40 | 6.33 | -10.88 | 2 | 6 | 0 | 78 | 383.835 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.38 | 6.51 | -53.28 | 0 | 6 | -1 | 77 | 382.827 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.38 | 6.69 | -43.58 | 0 | 6 | -1 | 77 | 382.827 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.40 | 7.2 | -43.9 | 1 | 6 | -1 | 81 | 382.827 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 7.1 | -50.48 | 1 | 6 | -1 | 81 | 382.827 | 5 | ↓ |
