| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 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) | 3.59 | 12.01 | -71.57 | 1 | 6 | 0 | 74 | 434.536 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.59 | 9.7 | -60.58 | 0 | 6 | -1 | 73 | 433.528 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.59 | 10.83 | -54.89 | 2 | 6 | 1 | 71 | 435.544 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.01 | 11.81 | -58.91 | 1 | 6 | 1 | 68 | 435.544 | 10 | ↓ |
