| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 2006 | 29 | 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) | 1.72 | 0.76 | -18.29 | 4 | 8 | 0 | 119 | 395.415 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.70 | 1.3 | -61.87 | 2 | 8 | -1 | 118 | 394.407 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.70 | 1.16 | -53.83 | 2 | 8 | -1 | 118 | 394.407 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 1.68 | -45.36 | 3 | 8 | -1 | 122 | 394.407 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 1.53 | -59.07 | 3 | 8 | -1 | 122 | 394.407 | 6 | ↓ |
