| 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) | 1.47 | 10.06 | -71.38 | 1 | 8 | 0 | 102 | 452.536 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 8.88 | -31.8 | 1 | 8 | 0 | 98 | 452.536 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.89 | 9.85 | -24.04 | 0 | 8 | 0 | 94 | 452.536 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 9.4 | -58.88 | 2 | 8 | 1 | 99 | 453.544 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.89 | 10.37 | -56.57 | 1 | 8 | 1 | 96 | 453.544 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.47 | 9.55 | -62.11 | 0 | 8 | -1 | 100 | 451.528 | 8 | ↓ |
