| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 2006 | 30 | 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) | 3.24 | 4.41 | -16.67 | 3 | 7 | 0 | 99 | 407.47 | 6 | ↓ |
| Ref Reference (pH 7) | 3.24 | 4.5 | -16.47 | 3 | 7 | 0 | 99 | 407.47 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 5.33 | -42.09 | 2 | 7 | -1 | 102 | 406.462 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.01 | 5.27 | -46.35 | 1 | 7 | -1 | 98 | 406.462 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.01 | 4.79 | -57.93 | 1 | 7 | -1 | 98 | 406.462 | 6 | ↓ |
