| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 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) | 1.52 | 7.69 | -77.95 | 1 | 7 | 0 | 87 | 415.515 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.52 | 5.19 | -61.92 | 0 | 7 | -1 | 86 | 414.507 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.94 | 9.03 | -54.86 | 1 | 7 | 1 | 81 | 416.523 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.52 | 6.73 | -51.5 | 2 | 7 | 1 | 84 | 416.523 | 7 | ↓ |
