| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2005 | 26 | 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) | 6.17 | 8.32 | -9.79 | 2 | 4 | 0 | 65 | 360.438 | 2 | ↓ |
| Hi High (pH 8-9.5) | 6.17 | 9.16 | -41.47 | 1 | 4 | -1 | 68 | 359.43 | 2 | ↓ |
| Hi High (pH 8-9.5) | 5.68 | 9.07 | -115.08 | 0 | 4 | -2 | 67 | 358.422 | 3 | ↓ |
| Hi High (pH 8-9.5) | 6.17 | 9.56 | -41.26 | 1 | 4 | -1 | 68 | 359.43 | 2 | ↓ |
| Mid Mid (pH 6-8) | 5.68 | 8.2 | -48.02 | 1 | 4 | -1 | 64 | 359.43 | 3 | ↓ |
