| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 2007 | 31 | No |
| 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) | 0.34 | 6.43 | -54.96 | 2 | 8 | 1 | 97 | 443.549 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.24 | 7.14 | -62.6 | 1 | 8 | 1 | 94 | 443.549 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.24 | 7.42 | -118.23 | 2 | 8 | 2 | 95 | 444.557 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.79 | 6.38 | -119.37 | 3 | 8 | 2 | 98 | 444.557 | 6 | ↓ |
