| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 25th, 2008 | 33 | No |
None
| 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) | 3.03 | 7.88 | -33.75 | 1 | 8 | 0 | 89 | 454.523 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.03 | 5.53 | -42.72 | 0 | 8 | -1 | 87 | 453.515 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.03 | 7.65 | -57.09 | 1 | 8 | 0 | 89 | 454.523 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.03 | 7.55 | -53.11 | 2 | 8 | 1 | 86 | 455.531 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.03 | 7.42 | -56.02 | 2 | 8 | 1 | 86 | 455.531 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.03 | 4.53 | -10.04 | 1 | 8 | 0 | 85 | 454.523 | 6 | ↓ |
