| 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) | 2.86 | 8.81 | -63.44 | 1 | 6 | -1 | 94 | 413.453 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.86 | -1.62 | -12.18 | 2 | 6 | 0 | 90 | 414.461 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.28 | -1.69 | -20.37 | 1 | 6 | 0 | 87 | 414.461 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.86 | -1.49 | -43.47 | 3 | 6 | 1 | 91 | 415.469 | 5 | ↓ |
