| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 30th, 2008 | 29 | Yes |
None
| 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) | 3.36 | 9.86 | -97.25 | 2 | 5 | 2 | 31 | 405.627 | 11 | ↓ |
| Hi High (pH 8-9.5) | 3.36 | 8.23 | -38.19 | 1 | 5 | 1 | 29 | 404.619 | 11 | ↓ |
| Hi High (pH 8-9.5) | 3.36 | 7.47 | -36.12 | 1 | 5 | 1 | 29 | 404.619 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.36 | 11.46 | -88.21 | 2 | 5 | 2 | 31 | 405.627 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 3.36 | 12.38 | -197.07 | 3 | 5 | 3 | 32 | 406.635 | 11 | ↓ |
