| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2011 | 20 | 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) | 4.39 | 7.64 | -8.59 | 1 | 3 | 0 | 47 | 288.73 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.39 | 8.63 | -49.58 | 0 | 3 | -1 | 49 | 287.722 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| M.P. | 109-111 C | Indofine |
| MP | 109.4-110.7o C | Indofine |
| SOLUBILITY | Soluble in Chloroform | Indofine |
| APPEARANCE | Yellow powder | Indofine |
No pre-computed analogs available. Try a structural similarity search.