| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 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) | 1.76 | 6.04 | -55.84 | 0 | 8 | -1 | 95 | 450.515 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.18 | -1.25 | -53.23 | 1 | 8 | 1 | 90 | 452.531 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.76 | 8.38 | -70.88 | 1 | 8 | 0 | 96 | 451.523 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.21 | -0.79 | -118.64 | 3 | 8 | 2 | 94 | 453.539 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.18 | -1.14 | -109.68 | 2 | 8 | 2 | 91 | 453.539 | 8 | ↓ |
