| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 30th, 2006 | 40 | 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) | -5.97 | -19.82 | -272.18 | 21 | 18 | 4 | 338 | 589.64 | 10 | ↓ |
| Hi High (pH 8-9.5) | -5.97 | -20.97 | -64.54 | 18 | 18 | 1 | 334 | 586.616 | 10 | ↓ |
| Hi High (pH 8-9.5) | -5.97 | -20.59 | -114.09 | 19 | 18 | 2 | 335 | 587.624 | 10 | ↓ |
| Mid Mid (pH 6-8) | -5.97 | -20.25 | -191.99 | 20 | 18 | 3 | 337 | 588.632 | 10 | ↓ |
