| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 28 | No |
None
| 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) | -1.29 | 6.99 | -59.08 | 2 | 8 | -1 | 113 | 391.354 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -1.29 | 5.28 | -59.3 | 4 | 8 | 1 | 112 | 393.37 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -1.29 | 7.29 | -100.76 | 3 | 8 | 0 | 115 | 392.362 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -1.29 | 4.96 | -11.63 | 3 | 8 | 0 | 110 | 392.362 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -4.03 | 5.11 | -82.86 | 4 | 8 | 1 | 118 | 393.37 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -4.03 | 4.79 | -25.74 | 3 | 8 | 0 | 116 | 392.362 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
