| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2009 | 27 | 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) | 3.36 | 4.62 | -15.01 | 3 | 6 | 0 | 109 | 397.481 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.36 | 5.55 | -54.54 | 2 | 6 | -1 | 112 | 396.473 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.