| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 33 | 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) | 4.13 | 11.98 | -65.87 | 1 | 6 | 0 | 74 | 454.542 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.13 | 9.66 | -56.3 | 0 | 6 | -1 | 73 | 453.534 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.58 | 10.86 | -54.58 | 2 | 6 | 1 | 71 | 455.55 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.55 | 11.86 | -54.63 | 1 | 6 | 1 | 68 | 455.55 | 10 | ↓ |
