| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 28 | Yes |
| 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) | 2.72 | -5.81 | -21.94 | 1 | 7 | 0 | 82 | 415.496 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.72 | -5.24 | -57.15 | 0 | 7 | -1 | 84 | 414.488 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.72 | -4.99 | -55.48 | 1 | 7 | 0 | 85 | 415.496 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.72 | -5.57 | -39.58 | 2 | 7 | 1 | 83 | 416.504 | 4 | ↓ |
