| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 22nd, 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) | 3.83 | 7.24 | -13.6 | 2 | 7 | 0 | 88 | 407.47 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.81 | 7.81 | -46.79 | 0 | 7 | -1 | 87 | 406.462 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.81 | 7.59 | -59.54 | 0 | 7 | -1 | 87 | 406.462 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.83 | 8.26 | -45.14 | 1 | 7 | -1 | 91 | 406.462 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.83 | 8 | -53.26 | 1 | 7 | -1 | 91 | 406.462 | 7 | ↓ |
