| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 18th, 2006 | 31 | 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) | 2.04 | 6.61 | -45.91 | 1 | 7 | -1 | 103 | 415.425 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.04 | -1.81 | -18.22 | 2 | 7 | 0 | 99 | 416.433 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.46 | -1.89 | -27.59 | 1 | 7 | 0 | 96 | 416.433 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.04 | -1.7 | -55.08 | 3 | 7 | 1 | 101 | 417.441 | 6 | ↓ |
