| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2008 | 28 | 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) | 4.08 | 8.75 | -27.68 | 1 | 5 | 0 | 61 | 419.308 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.08 | 6.39 | -41.84 | 0 | 5 | -1 | 60 | 418.3 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.08 | 8.12 | -53.69 | 1 | 5 | 0 | 61 | 419.308 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.08 | 8.07 | -46.02 | 2 | 5 | 1 | 58 | 420.316 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.08 | 4.98 | -8.07 | 1 | 5 | 0 | 57 | 419.308 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.08 | 7.97 | -40.19 | 2 | 5 | 1 | 58 | 420.316 | 3 | ↓ |
