| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 37 | 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) | 4.33 | 11.79 | -58.3 | 0 | 7 | -1 | 92 | 491.523 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.77 | 11.09 | -12.43 | 1 | 7 | 0 | 89 | 492.531 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.74 | 11.49 | -12.66 | 0 | 7 | 0 | 86 | 492.531 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.77 | 11.38 | -42.54 | 2 | 7 | 1 | 90 | 493.539 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.74 | 11.79 | -46.51 | 1 | 7 | 1 | 87 | 493.539 | 8 | ↓ |
