| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2008 | 29 | 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) | 2.84 | 10.46 | -73.65 | 1 | 6 | 0 | 74 | 394.471 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.84 | 7.94 | -58.32 | 0 | 6 | -1 | 73 | 393.463 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.26 | 10.71 | -60.14 | 1 | 6 | 1 | 68 | 395.479 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.84 | 9.5 | -49.94 | 2 | 6 | 1 | 71 | 395.479 | 7 | ↓ |
