| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 22nd, 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) | 1.76 | 2.31 | -17.33 | 3 | 8 | 0 | 108 | 395.415 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 2.59 | -64.27 | 1 | 8 | -1 | 107 | 394.407 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 2.96 | -56.13 | 1 | 8 | -1 | 107 | 394.407 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.76 | 3.27 | -48.66 | 2 | 8 | -1 | 111 | 394.407 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.76 | 3.08 | -57.34 | 2 | 8 | -1 | 111 | 394.407 | 6 | ↓ |
