| 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) | 2.89 | 8.77 | -64.64 | 1 | 6 | -1 | 94 | 413.453 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.89 | -1.15 | -12.39 | 2 | 6 | 0 | 90 | 414.461 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.30 | -1.28 | -20.54 | 1 | 6 | 0 | 87 | 414.461 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.89 | -1.04 | -51.1 | 3 | 6 | 1 | 91 | 415.469 | 5 | ↓ |
