| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2007 | 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) | 2.26 | 9.52 | -69.56 | 1 | 8 | 0 | 91 | 434.496 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.26 | 6.97 | -59.98 | 0 | 8 | -1 | 90 | 433.488 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | 9.13 | -46.14 | 2 | 8 | 1 | 89 | 435.504 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | 9.65 | -84.85 | 3 | 8 | 2 | 90 | 436.512 | 6 | ↓ |
