| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 12th, 2008 | 27 | 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) | 3.21 | 12.68 | -25.15 | 1 | 8 | 0 | 106 | 385.449 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.38 | 11.78 | -50.47 | 0 | 8 | -1 | 107 | 384.441 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.69 | 8.12 | -12.76 | 1 | 7 | 0 | 77 | 424.497 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.55 | 12.08 | -24.96 | 2 | 8 | 1 | 110 | 386.457 | 3 | ↓ |
