| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2007 | 33 | 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) | 3.03 | 9.26 | -63.55 | 0 | 7 | -1 | 92 | 443.479 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.48 | 8.76 | -16.06 | 1 | 7 | 0 | 89 | 444.487 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.45 | 10.79 | -13.49 | 0 | 7 | 0 | 86 | 444.487 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.48 | 9.04 | -39.58 | 2 | 7 | 1 | 90 | 445.495 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.45 | 11.07 | -43.55 | 1 | 7 | 1 | 87 | 445.495 | 7 | ↓ |
