| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2004 | 28 | 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) | 4.03 | 8.91 | -14.92 | 1 | 6 | 0 | 75 | 412.54 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.03 | 9.26 | -39.53 | 2 | 6 | 1 | 76 | 413.548 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.95 | 9.14 | -15.69 | 1 | 6 | 0 | 78 | 412.54 | 6 | ↓ |
