| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 11th, 2007 | 16 | 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) | 2.04 | 4.78 | -15.86 | 2 | 4 | 0 | 58 | 217.272 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.10 | 2.12 | -9.69 | 2 | 4 | 0 | 61 | 217.272 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.10 | 3.98 | -90.7 | 4 | 4 | 2 | 64 | 219.288 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.04 | 5.27 | -42.48 | 3 | 4 | 1 | 59 | 218.28 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.04 | 4.8 | -11.94 | 2 | 4 | 0 | 58 | 217.272 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.10 | 3.51 | -37.58 | 3 | 4 | 1 | 63 | 218.28 | 4 | ↓ |
