| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2011 | 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) | 1.10 | 3.71 | -29.83 | 3 | 5 | 1 | 59 | 289.44 | 12 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | 3.2 | -2.62 | 2 | 5 | 0 | 54 | 288.432 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 1.10 | 3.31 | -91.86 | 4 | 5 | 2 | 60 | 290.448 | 12 | ↓ |
