| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 9th, 2009 | 36 | 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) | 2.15 | 8.64 | -45.82 | 0 | 9 | -1 | 110 | 489.504 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.15 | 7.51 | -22.62 | 1 | 9 | 0 | 107 | 490.512 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.15 | 7.95 | -56.26 | 2 | 9 | 1 | 109 | 491.52 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
