| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2006 | 27 | 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) | 2.17 | 2.48 | -16.56 | 3 | 7 | 0 | 99 | 365.389 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.15 | 3.06 | -49.26 | 1 | 7 | -1 | 98 | 364.381 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.15 | 2.84 | -62.59 | 1 | 7 | -1 | 98 | 364.381 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.17 | 3.62 | -42.96 | 2 | 7 | -1 | 102 | 364.381 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.17 | 3.24 | -56.75 | 2 | 7 | -1 | 102 | 364.381 | 5 | ↓ |
