| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2007 | 36 | 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) | 4.39 | 9.85 | -59.61 | 0 | 7 | -1 | 82 | 491.608 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.39 | 11.68 | -46.08 | 2 | 7 | 1 | 81 | 493.624 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 12 | -49.37 | 1 | 7 | 1 | 77 | 493.624 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.39 | 12.18 | -73.89 | 1 | 7 | 0 | 83 | 492.616 | 8 | ↓ |
