| 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 | 5.15 | -17.61 | 3 | 8 | 0 | 108 | 437.496 | 7 | ↓ |
| Ref Reference (pH 7) | 3.14 | 4.94 | -15.77 | 3 | 8 | 0 | 108 | 437.496 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 5.93 | -46.36 | 2 | 8 | -1 | 111 | 436.488 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.91 | 4.62 | -62.69 | 1 | 8 | -1 | 107 | 436.488 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.91 | 4.91 | -53.18 | 1 | 8 | -1 | 107 | 436.488 | 7 | ↓ |
