| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 14th, 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) | 1.22 | 7.27 | -52.59 | 0 | 7 | -1 | 99 | 377.405 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.63 | 7.51 | -12.21 | 0 | 7 | 0 | 93 | 378.413 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.66 | 7.17 | -18.81 | 1 | 7 | 0 | 96 | 378.413 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.22 | 7.43 | -56.08 | 2 | 7 | 1 | 98 | 379.421 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.63 | 7.78 | -46.34 | 1 | 7 | 1 | 94 | 379.421 | 4 | ↓ |
