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)
|
-5.26 |
-13.51 |
-189.22 |
15 |
10 |
3 |
208 |
325.386 |
3 |
↓
|
|
Hi
High (pH 8-9.5)
|
-5.26 |
-13.85 |
-110.39 |
14 |
10 |
2 |
207 |
324.378 |
3 |
↓
|
|
Hi
High (pH 8-9.5)
|
-5.26 |
-13.83 |
-92.87 |
14 |
10 |
2 |
207 |
324.378 |
3 |
↓
|
|
Hi
High (pH 8-9.5)
|
-5.26 |
-14.19 |
-44.04 |
13 |
10 |
1 |
205 |
323.37 |
3 |
↓
|
|
Mid
Mid (pH 6-8)
|
-5.26 |
-13.05 |
-293.39 |
16 |
10 |
4 |
210 |
326.394 |
3 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| Purity |
95% |
Fluorochem |
No pre-computed analogs available. Try a structural similarity search.
