| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2008 | 31 | 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) | 4.10 | 11.93 | -29.39 | 2 | 7 | 0 | 88 | 454.625 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.38 | 11.41 | -55.55 | 2 | 7 | 1 | 88 | 455.633 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.38 | 11.85 | -98.24 | 3 | 7 | 2 | 89 | 456.641 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.10 | 11.93 | -30.52 | 2 | 7 | 0 | 88 | 454.625 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.10 | 12.39 | -61.5 | 3 | 7 | 1 | 90 | 455.633 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.10 | 11.72 | -29.75 | 2 | 7 | 0 | 88 | 454.625 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.10 | 12.14 | -58.13 | 3 | 7 | 1 | 90 | 455.633 | 9 | ↓ |
