| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 12th, 2009 | 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) | 4.59 | 5.73 | -16.67 | 3 | 7 | 0 | 119 | 453.545 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.85 | 6.91 | -54.1 | 2 | 7 | -1 | 117 | 452.537 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.04 | 3.75 | -58.29 | 2 | 7 | -1 | 122 | 452.537 | 4 | ↓ |
