| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 23rd, 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) | 0.36 | -2.44 | -14.26 | 1 | 7 | 0 | 96 | 406.467 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.23 | -2.61 | -18.82 | 0 | 7 | 0 | 93 | 406.467 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.80 | -2.72 | -67.56 | 2 | 7 | 1 | 97 | 407.475 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.80 | -2.72 | -61.99 | 2 | 7 | 1 | 97 | 407.475 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.80 | -2.61 | -119.9 | 3 | 7 | 2 | 98 | 408.483 | 4 | ↓ |
