| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2008 | 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) | 1.14 | 5.45 | -78.43 | 2 | 8 | 0 | 107 | 397.431 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | 3.93 | -133.99 | 0 | 8 | -2 | 109 | 395.415 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.14 | 6.48 | -134.55 | 1 | 8 | -1 | 110 | 396.423 | 7 | ↓ |
