| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2007 | 37 | 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) | 4.97 | 14.5 | -68.94 | 1 | 9 | 0 | 120 | 509.603 | 13 | ↓ |
| Hi High (pH 8-9.5) | 4.97 | 12.29 | -51.98 | 0 | 9 | -1 | 119 | 508.595 | 13 | ↓ |
| Mid Mid (pH 6-8) | 5.41 | 14.85 | -48.37 | 2 | 9 | 1 | 117 | 510.611 | 12 | ↓ |
