| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 29 | 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) | 2.53 | 7.14 | -71.87 | 3 | 6 | 0 | 95 | 433.599 | 13 | ↓ |
| Hi High (pH 8-9.5) | 2.53 | 5.8 | -42.97 | 2 | 6 | -1 | 90 | 432.591 | 13 | ↓ |
| Lo Low (pH 4.5-6) | 2.53 | 6.67 | -95.35 | 5 | 6 | 2 | 93 | 435.615 | 13 | ↓ |
| Lo Low (pH 4.5-6) | 2.53 | 7.49 | -102.68 | 4 | 6 | 1 | 96 | 434.607 | 13 | ↓ |
