| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 18th, 2008 | 29 | 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) | -4.71 | -6.7 | -315.52 | 16 | 9 | 5 | 158 | 422.731 | 24 | ↓ |
| Hi High (pH 8-9.5) | -4.71 | -8.05 | -221.8 | 15 | 9 | 4 | 153 | 421.723 | 24 | ↓ |
| Mid Mid (pH 6-8) | -4.71 | -5.36 | -447.53 | 17 | 9 | 6 | 162 | 423.739 | 24 | ↓ |
| Mid Mid (pH 6-8) | -4.71 | -4.02 | -607.36 | 18 | 9 | 7 | 167 | 424.747 | 24 | ↓ |
| Mid Mid (pH 6-8) | -4.71 | -5.31 | -430.58 | 17 | 9 | 6 | 162 | 423.739 | 24 | ↓ |
| Lo Low (pH 4.5-6) | -4.71 | -3.23 | -590.8 | 18 | 9 | 7 | 163 | 424.747 | 24 | ↓ |
