| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 20 | 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) | 2.79 | 7.91 | -108.18 | 3 | 3 | 2 | 30 | 278.44 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.79 | 5.94 | -3.2 | 1 | 3 | 0 | 24 | 276.424 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.79 | 7.39 | -33.58 | 2 | 3 | 1 | 29 | 277.432 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.79 | 8.15 | -33.59 | 2 | 3 | 1 | 26 | 277.432 | 5 | ↓ |
