| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2008 | 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) | 4.13 | 11.42 | -20.93 | 2 | 5 | 0 | 71 | 435.593 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.08 | -6.2 | -185.7 | 1 | 5 | 0 | 71 | 435.593 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.25 | 12.57 | -25.91 | 1 | 5 | 0 | 71 | 435.593 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.08 | -5.33 | -170.77 | 2 | 5 | 1 | 73 | 436.601 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.08 | 11.24 | -28.91 | 2 | 5 | 1 | 73 | 436.601 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.25 | 12.33 | -45.83 | 2 | 5 | 1 | 73 | 436.601 | 3 | ↓ |
