| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 8th, 2011 | 28 | 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) | 3.45 | 8.08 | -53.26 | 2 | 8 | -1 | 101 | 377.428 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.45 | 8.23 | -35.55 | 3 | 8 | 0 | 103 | 378.436 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.44 | 8.42 | -27.84 | 4 | 8 | 1 | 100 | 379.444 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.44 | 8.81 | -14.34 | 3 | 8 | 0 | 98 | 378.436 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
