| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 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) | 2.83 | 7.86 | -60.01 | 1 | 7 | -1 | 103 | 443.479 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.28 | 7.24 | -16.95 | 2 | 7 | 0 | 100 | 444.487 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 7.24 | -14.67 | 1 | 7 | 0 | 97 | 444.487 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.28 | 7.52 | -42.24 | 3 | 7 | 1 | 101 | 445.495 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.25 | 7.52 | -46.03 | 2 | 7 | 1 | 98 | 445.495 | 7 | ↓ |
