| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 32 | 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) | 1.11 | 5.77 | -59.55 | 0 | 8 | -1 | 95 | 440.451 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.56 | 6.81 | -60.08 | 2 | 8 | 1 | 93 | 442.467 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.53 | 8.02 | -63.49 | 1 | 8 | 1 | 90 | 442.467 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.11 | 8.12 | -72.23 | 1 | 8 | 0 | 96 | 441.459 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.53 | 8.29 | -122.78 | 2 | 8 | 2 | 91 | 443.475 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.11 | 7.62 | -108.1 | 3 | 8 | 2 | 95 | 443.475 | 7 | ↓ |
