| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2008 | 26 | Yes |
| 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) | 3.83 | 10.3 | -36.58 | 1 | 3 | 1 | 11 | 350.53 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.83 | 10.44 | -36.41 | 1 | 3 | 1 | 11 | 350.53 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.83 | 12.15 | -85.95 | 2 | 3 | 2 | 12 | 351.538 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.83 | 8.02 | -2.34 | 0 | 3 | 0 | 10 | 349.522 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.83 | 12.71 | -104.16 | 2 | 3 | 2 | 12 | 351.538 | 4 | ↓ |
