| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2010 | 31 | 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) | -0.14 | 1.61 | -68.05 | 6 | 9 | 0 | 165 | 430.457 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.14 | -0.56 | -54.55 | 5 | 9 | -1 | 164 | 429.449 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.14 | 2.61 | -123.79 | 5 | 9 | -1 | 168 | 429.449 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.14 | 2.62 | -99.38 | 5 | 9 | -1 | 168 | 429.449 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.14 | -0.41 | -55.52 | 7 | 9 | 1 | 163 | 431.465 | 2 | ↓ |
