| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2007 | 33 | 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) | 3.00 | 10.06 | -46.64 | 2 | 7 | 1 | 84 | 452.575 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.41 | 10.72 | -56.58 | 1 | 7 | 1 | 81 | 452.575 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 2.41 | 11 | -120.16 | 2 | 7 | 2 | 82 | 453.583 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 3.00 | 10.34 | -107 | 3 | 7 | 2 | 85 | 453.583 | 10 | ↓ |
