| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 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) | 2.24 | 6.95 | -60.22 | 1 | 8 | -1 | 102 | 477.537 | 8 | ↓ |
| Ref Reference (pH 7) | 2.24 | 6.6 | -64.58 | 1 | 8 | -1 | 102 | 477.537 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.24 | 7.89 | -114.27 | 0 | 8 | -2 | 105 | 476.529 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.24 | 9.24 | -90.54 | 2 | 8 | 0 | 104 | 478.545 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.24 | 9.29 | -79.1 | 2 | 8 | 0 | 104 | 478.545 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.24 | 7.97 | -55.97 | 3 | 8 | 1 | 101 | 479.553 | 9 | ↓ |
