| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 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) | 2.91 | 9.41 | -71.56 | 1 | 6 | 0 | 74 | 394.471 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.91 | 6.86 | -60.24 | 0 | 6 | -1 | 73 | 393.463 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.33 | 10.54 | -61.95 | 1 | 6 | 1 | 68 | 395.479 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.36 | 9.6 | -51.64 | 2 | 6 | 1 | 71 | 395.479 | 6 | ↓ |
