| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 24 | 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) | 6.08 | 6.97 | -8.99 | 2 | 4 | 0 | 65 | 379.268 | 2 | ↓ |
| Hi High (pH 8-9.5) | 6.54 | 5.2 | -47.63 | 1 | 4 | -1 | 69 | 378.26 | 2 | ↓ |
| Hi High (pH 8-9.5) | 6.54 | 4.52 | -47.67 | 1 | 4 | -1 | 69 | 378.26 | 2 | ↓ |
| Hi High (pH 8-9.5) | 6.54 | 5.3 | -93.96 | 0 | 4 | -2 | 71 | 377.252 | 2 | ↓ |
| Hi High (pH 8-9.5) | 6.08 | 7.33 | -39.42 | 1 | 4 | -1 | 68 | 378.26 | 2 | ↓ |
| Hi High (pH 8-9.5) | 6.54 | 5.98 | -93.49 | 0 | 4 | -2 | 71 | 377.252 | 2 | ↓ |
| Mid Mid (pH 6-8) | 6.08 | 7.7 | -39.86 | 1 | 4 | -1 | 68 | 378.26 | 2 | ↓ |
| Mid Mid (pH 6-8) | 5.59 | 7.33 | -87.8 | 0 | 4 | -2 | 67 | 377.252 | 3 | ↓ |
