| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2007 | 28 | 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) | 4.08 | 9.91 | -54.35 | 0 | 5 | -1 | 73 | 458.288 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.50 | -0.51 | -12.62 | 0 | 5 | 0 | 67 | 459.296 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.08 | 9.1 | -15.07 | 1 | 5 | 0 | 71 | 459.296 | 4 | ↓ |
