| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2004 | 35 | Yes |
| 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) | 1.47 | -1.82 | -16.54 | 5 | 10 | 0 | 155 | 482.441 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.47 | -0.83 | -55.64 | 4 | 10 | -1 | 158 | 481.433 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| SOLUBILITY | .; Soluble in ; Toluene:Ethyl formite:HCOOH (5:4:1) | Indofine |
| APPEARANCE | .; White powder | Indofine |
| MP | 164-174o C | Indofine |
| SOLUBILITY | Soluble in Toluene:ethyl formiate:HCOOH(5:4:1) | Indofine |
| M.P. | ~164-174 C | Indofine |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81057-1-O | HUVEC (Umbilical Vein Endothelial Cells) (cluster #1 Of 4), Other | Other | 6490 | 0.21 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81057 | Z81057 | HUVEC (Umbilical Vein Endothelial Cells) | 6490 | 0.21 | Functional ≤ 10μM |
