| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 12th, 2008 | 31 | 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) | 4.35 | 8.86 | -56.27 | 0 | 6 | -1 | 79 | 463.337 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.77 | 9.27 | -14.35 | 0 | 6 | 0 | 73 | 464.345 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.35 | 8.04 | -16.53 | 1 | 6 | 0 | 76 | 464.345 | 8 | ↓ |
