| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 37 | Yes |
| 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) | 5.63 | 11.53 | -14.45 | 2 | 9 | 0 | 99 | 510.476 | 8 | ↓ |
| Hi High (pH 8-9.5) | 5.63 | 11.15 | -49.72 | 1 | 9 | -1 | 97 | 509.468 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 5.63 | 11.63 | -34.57 | 3 | 9 | 1 | 100 | 511.484 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 5.63 | 12.19 | -85.41 | 4 | 9 | 2 | 102 | 512.492 | 8 | ↓ |
