| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 27th, 2007 | 25 | 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) | 7.01 | 13.15 | -6.24 | 1 | 2 | 0 | 29 | 454.165 | 3 | ↓ |
| Mid Mid (pH 6-8) | 7.01 | -0.86 | -33.35 | 2 | 2 | 1 | 29 | 455.173 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 7.01 | 13.6 | -32.24 | 2 | 2 | 1 | 30 | 455.173 | 3 | ↓ |
