| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2008 | 28 | 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) | 3.65 | 7.47 | -47.22 | 1 | 6 | -1 | 87 | 436.296 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.65 | 8.42 | -98.98 | 0 | 6 | -2 | 90 | 435.288 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.19 | 8.54 | -15.89 | 2 | 6 | 0 | 84 | 437.304 | 4 | ↓ |
