| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 29th, 2006 | 20 | No |
| 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) | 4.59 | 9.47 | -28.26 | 2 | 3 | 1 | 35 | 269.368 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.59 | 9.28 | -7.37 | 1 | 3 | 0 | 34 | 268.36 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.59 | 8.87 | -5.43 | 1 | 3 | 0 | 34 | 268.36 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.59 | 8.85 | -5.6 | 1 | 3 | 0 | 34 | 268.36 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.59 | 9.35 | -7.47 | 1 | 3 | 0 | 34 | 268.36 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.59 | 9.29 | -29.67 | 2 | 3 | 1 | 35 | 269.368 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.59 | 9.46 | -5.5 | 2 | 3 | 0 | 35 | 269.368 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.59 | 9.39 | -28.7 | 2 | 3 | 1 | 35 | 269.368 | 5 | ↓ |
