| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2008 | 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) | 2.96 | 5.57 | -96.51 | 0 | 9 | -2 | 139 | 386.389 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.50 | 7.42 | -34.96 | 1 | 9 | -1 | 136 | 387.397 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.50 | 7.43 | -38.92 | 1 | 9 | -1 | 136 | 387.397 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.50 | 6.89 | -42.22 | 1 | 9 | -1 | 136 | 387.397 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.50 | 6.89 | -36.1 | 1 | 9 | -1 | 136 | 387.397 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.25 | 8.58 | -16.83 | 2 | 9 | 0 | 130 | 388.405 | 5 | ↓ |
