| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 21 | 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) | 2.16 | 1.76 | -10.37 | 2 | 5 | 0 | 70 | 291.347 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.16 | 2.77 | -52.85 | 1 | 5 | -1 | 73 | 290.339 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.16 | 2.54 | -43.49 | 1 | 5 | -1 | 73 | 290.339 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.16 | 3.9 | -42.15 | 3 | 5 | 1 | 71 | 292.355 | 3 | ↓ |
