| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 27th, 2007 | 35 | 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) | 3.56 | 9.1 | -63.28 | 0 | 8 | -1 | 97 | 480.537 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.97 | 9.03 | -22 | 0 | 8 | 0 | 91 | 481.545 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.00 | 8.03 | -28.86 | 1 | 8 | 0 | 95 | 481.545 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.86 | 9.15 | -46.06 | 1 | 4 | 1 | 34 | 349.52 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.86 | 6.84 | -12.4 | 0 | 4 | 0 | 33 | 348.512 | 4 | ↓ |
