| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 25th, 2006 | 30 | 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) | 3.12 | 10.19 | -56.8 | 0 | 8 | -1 | 115 | 409.418 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.12 | 1.5 | -11.69 | 1 | 8 | 0 | 112 | 410.426 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.54 | 1.48 | -18.18 | 0 | 8 | 0 | 109 | 410.426 | 7 | ↓ |
