| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2012 | 16 | 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) | -0.62 | 5.8 | -34.75 | 2 | 5 | 0 | 83 | 229.276 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.62 | 4.63 | -48.04 | 1 | 5 | -1 | 78 | 228.268 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 122-126 °C(lit.) | Indofine |
No pre-computed analogs available. Try a structural similarity search.