| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 25th, 2006 | 31 | 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) | 3.81 | 12.37 | -66.05 | 0 | 5 | -1 | 73 | 411.481 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 1.14 | -11.58 | 1 | 5 | 0 | 70 | 412.489 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.23 | 0.98 | -11.06 | 0 | 5 | 0 | 67 | 412.489 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.81 | 1.25 | -41.15 | 2 | 5 | 1 | 71 | 413.497 | 5 | ↓ |
