| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2004 | 27 | 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) | 4.77 | 6.94 | -42.03 | 1 | 5 | -1 | 77 | 388.35 | 3 | ↓ |
| Hi High (pH 8-9.5) | 6.17 | 3.23 | -108.67 | 0 | 5 | -2 | 84 | 387.342 | 2 | ↓ |
| Mid Mid (pH 6-8) | 5.71 | 5.06 | -44.37 | 1 | 5 | -1 | 81 | 388.35 | 2 | ↓ |
| Mid Mid (pH 6-8) | 5.22 | 4.99 | -104.03 | 0 | 5 | -2 | 80 | 387.342 | 3 | ↓ |
| Mid Mid (pH 6-8) | 5.71 | 5.21 | -47.89 | 1 | 5 | -1 | 81 | 388.35 | 2 | ↓ |
