| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 21 | 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) | 1.11 | 5.93 | -80.99 | 3 | 5 | 2 | 45 | 300.491 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.11 | 4.83 | -36.9 | 2 | 5 | 1 | 40 | 299.483 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.11 | 4.75 | -37.88 | 2 | 5 | 1 | 40 | 299.483 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.11 | 8.4 | -165.07 | 4 | 5 | 3 | 46 | 301.499 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.11 | 6 | -89.72 | 3 | 5 | 2 | 45 | 300.491 | 8 | ↓ |
