| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2007 | 38 | 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) | 4.04 | 8.75 | -59.64 | 0 | 8 | -1 | 91 | 513.57 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.49 | 10.64 | -50.27 | 2 | 8 | 1 | 90 | 515.586 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.46 | 11.43 | -56.12 | 1 | 8 | 1 | 87 | 515.586 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.04 | 11.07 | -72.04 | 1 | 8 | 0 | 93 | 514.578 | 9 | ↓ |
