| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 32 | 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) | 3.14 | 5.39 | -16.69 | 3 | 8 | 0 | 108 | 437.496 | 7 | ↓ |
| Ref Reference (pH 7) | 3.14 | 4.6 | -16.8 | 3 | 8 | 0 | 108 | 437.496 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 5.58 | -39.87 | 2 | 8 | -1 | 111 | 436.488 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.91 | 5 | -54.45 | 1 | 8 | -1 | 107 | 436.488 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.91 | 4.66 | -55.51 | 1 | 8 | -1 | 107 | 436.488 | 7 | ↓ |
