| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 30th, 2010 | 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) | 0.38 | 3.52 | -59.57 | 4 | 14 | 0 | 200 | 568.634 | 12 | ↓ |
| Hi High (pH 8-9.5) | 0.19 | 4.95 | -26.5 | 4 | 14 | 0 | 192 | 568.634 | 12 | ↓ |
| Hi High (pH 8-9.5) | 0.38 | 3.12 | -62.17 | 3 | 14 | -1 | 198 | 567.626 | 12 | ↓ |
| Hi High (pH 8-9.5) | 0.38 | 3.22 | -62.41 | 3 | 14 | -1 | 198 | 567.626 | 12 | ↓ |
| Mid Mid (pH 6-8) | 0.19 | 5.33 | -65.2 | 5 | 14 | 1 | 193 | 569.642 | 12 | ↓ |
