| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 2007 | 33 | 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) | 2.50 | 6.27 | -15.55 | 2 | 8 | 0 | 101 | 442.475 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.50 | 7.03 | -54.66 | 1 | 8 | -1 | 103 | 441.467 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.50 | 6.74 | -44.16 | 3 | 8 | 1 | 102 | 443.483 | 6 | ↓ |
