| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2009 | 31 | 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) | 2.79 | 9.22 | -48.04 | 2 | 7 | 1 | 72 | 441.939 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.79 | 7.01 | -9.77 | 1 | 7 | 0 | 71 | 440.931 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.79 | 9.68 | -95.25 | 3 | 7 | 2 | 73 | 442.947 | 7 | ↓ |
