| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 34 | 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) | 4.64 | 13.1 | -65.49 | 1 | 6 | 0 | 74 | 468.569 | 11 | ↓ |
| Hi High (pH 8-9.5) | 4.64 | 10.85 | -55.87 | 0 | 6 | -1 | 73 | 467.561 | 11 | ↓ |
| Mid Mid (pH 6-8) | 5.08 | 12.03 | -55.66 | 2 | 6 | 1 | 71 | 469.577 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.05 | 13.02 | -56.72 | 1 | 6 | 1 | 68 | 469.577 | 11 | ↓ |
