| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2010 | 28 | 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) | 3.64 | 7.85 | -42.26 | 2 | 6 | -1 | 93 | 432.572 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.40 | 6.45 | -89.4 | 1 | 6 | -2 | 97 | 431.564 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.40 | 6.48 | -106.14 | 1 | 6 | -2 | 97 | 431.564 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.40 | 6.57 | -106.63 | 1 | 6 | -2 | 97 | 431.564 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.40 | 6.36 | -88.96 | 1 | 6 | -2 | 97 | 431.564 | 3 | ↓ |
