| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 22nd, 2006 | 29 | 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) | 1.67 | 9.79 | -43.65 | 2 | 7 | 1 | 88 | 398.483 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.09 | 10.72 | -48.73 | 1 | 7 | 1 | 85 | 398.483 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 1.09 | 11 | -101.34 | 2 | 7 | 2 | 86 | 399.491 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.12 | 9.11 | -103.2 | 3 | 7 | 2 | 89 | 399.491 | 8 | ↓ |
