| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2007 | 35 | 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) | 3.37 | 7.16 | -16.45 | 2 | 9 | 0 | 106 | 481.549 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.35 | 7.53 | -63.87 | 0 | 9 | -1 | 105 | 480.541 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.35 | 7.75 | -49.53 | 0 | 9 | -1 | 105 | 480.541 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.37 | 8.18 | -46.27 | 1 | 9 | -1 | 109 | 480.541 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.37 | 7.92 | -56.1 | 1 | 9 | -1 | 109 | 480.541 | 10 | ↓ |
