| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 25th, 2006 | 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) | 0.28 | 6.38 | -71.96 | 1 | 7 | 0 | 91 | 386.477 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.28 | 3.84 | -59.8 | 0 | 7 | -1 | 89 | 385.469 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.72 | -1.01 | -43.11 | 2 | 7 | 1 | 87 | 387.485 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.31 | -1.77 | -47.73 | 1 | 7 | 1 | 84 | 387.485 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.72 | -1.19 | -120.31 | 3 | 7 | 2 | 89 | 388.493 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.72 | -0.89 | -105.85 | 3 | 7 | 2 | 89 | 388.493 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.31 | -1.66 | -112.13 | 2 | 7 | 2 | 85 | 388.493 | 6 | ↓ |
