| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 34 | 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) | 1.63 | 2.94 | -63.95 | 1 | 9 | -1 | 112 | 467.498 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.63 | 5.23 | -76.09 | 2 | 9 | 0 | 113 | 468.506 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.63 | 4.46 | -57.74 | 3 | 9 | 1 | 110 | 469.514 | 8 | ↓ |
