| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2008 | 29 | No |
None
| 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) | 2.78 | 8.4 | -29.3 | 1 | 8 | 0 | 107 | 395.415 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.78 | 6.07 | -42.03 | 0 | 8 | -1 | 106 | 394.407 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.78 | 8.49 | -51.41 | 1 | 8 | 0 | 107 | 395.415 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.78 | 7.74 | -46.53 | 2 | 8 | 1 | 104 | 396.423 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.78 | 5.36 | -10.77 | 1 | 8 | 0 | 103 | 395.415 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.78 | 7.61 | -48.3 | 2 | 8 | 1 | 104 | 396.423 | 4 | ↓ |
