| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 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) | 6.39 | 6.79 | -8.86 | 2 | 4 | 0 | 65 | 444.137 | 2 | ↓ |
| Hi High (pH 8-9.5) | 6.85 | 5.53 | -97.33 | 0 | 4 | -2 | 71 | 442.121 | 2 | ↓ |
| Hi High (pH 8-9.5) | 6.85 | 5.84 | -95 | 0 | 4 | -2 | 71 | 442.121 | 2 | ↓ |
| Mid Mid (pH 6-8) | 5.91 | 7.23 | -10.54 | 2 | 4 | 0 | 62 | 444.137 | 3 | ↓ |
| Mid Mid (pH 6-8) | 5.91 | 7.33 | -89.1 | 0 | 4 | -2 | 67 | 442.121 | 3 | ↓ |
| Mid Mid (pH 6-8) | 6.39 | 7.57 | -33.59 | 1 | 4 | -1 | 68 | 443.129 | 2 | ↓ |
| Mid Mid (pH 6-8) | 6.39 | 7.86 | -33.31 | 1 | 4 | -1 | 68 | 443.129 | 2 | ↓ |
