| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2007 | 32 | No |
| 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) | 2.73 | 9.24 | -49.61 | 2 | 7 | 1 | 84 | 438.548 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.14 | 9.92 | -59 | 1 | 7 | 1 | 81 | 438.548 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.17 | 9.19 | -123.42 | 3 | 7 | 2 | 85 | 439.556 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.14 | 10.22 | -123.35 | 2 | 7 | 2 | 82 | 439.556 | 9 | ↓ |
