| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 13th, 2009 | 36 | 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) | 1.86 | 10.5 | -70.07 | 1 | 10 | 0 | 110 | 494.548 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 7.98 | -53.76 | 0 | 10 | -1 | 109 | 493.54 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 1.86 | 9.19 | -60.16 | 2 | 10 | 1 | 107 | 495.556 | 9 | ↓ |
