Physical Representations
|
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)
|
2.08 |
0.27 |
-11.78 |
3 |
5 |
0 |
87 |
272.256 |
1 |
↓
|
|
Ref
Reference (pH 7)
|
2.08 |
0.25 |
-11.14 |
3 |
5 |
0 |
87 |
272.256 |
1 |
↓
|
|
Hi
High (pH 8-9.5)
|
2.08 |
1.19 |
-51.35 |
2 |
5 |
-1 |
90 |
271.248 |
1 |
↓
|
|
Hi
High (pH 8-9.5)
|
2.08 |
1.17 |
-49.88 |
2 |
5 |
-1 |
90 |
271.248 |
1 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| M.P. |
205-211 C |
Indofine |
| MP |
205-211o C |
Indofine |
| APPEARANCE |
Orange yellow powder |
Indofine |
| SOLUBILITY |
Soluble in butanol:acetic acid:water (4:1:5) |
Indofine |
| SOLUBILITY |
Soluble in n Butanol:Acetic acid:; Water (4:1:5) |
Indofine |
No pre-computed analogs available. Try a structural similarity search.
