| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2006 | 29 | 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) | 0.41 | 6.74 | -62.76 | 0 | 7 | -1 | 99 | 405.459 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.85 | -2.93 | -28.82 | 1 | 7 | 0 | 96 | 406.467 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.17 | -2.73 | -20.41 | 0 | 7 | 0 | 93 | 406.467 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.85 | -2.82 | -65.39 | 2 | 7 | 1 | 97 | 407.475 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.85 | -2.82 | -63.95 | 2 | 7 | 1 | 97 | 407.475 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.85 | -2.71 | -118.84 | 3 | 7 | 2 | 98 | 408.483 | 4 | ↓ |
