| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 15th, 2007 | 30 | Yes |
| 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) | 4.49 | 5.42 | -15.78 | 3 | 7 | 0 | 99 | 472.339 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.29 | 4.73 | -48.73 | 1 | 7 | -1 | 98 | 471.331 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.49 | 6.19 | -54.28 | 2 | 7 | -1 | 102 | 471.331 | 6 | ↓ |
