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)
|
4.95 |
15.43 |
-113.72 |
5 |
14 |
2 |
174 |
826.988 |
10 |
↓
|
Hi
High (pH 8-9.5)
|
4.95 |
12.55 |
-49.71 |
4 |
14 |
1 |
172 |
825.98 |
10 |
↓
|
Vendor Notes
Note Type |
Comments |
Provided By |
Target |
Transcription factor p65(Q04206)&Proto-oncogene c-Fos(P01100)&Cyclic AMP-dependent transcription factor ATF-2(P15336)&Cyclic AMP-responsive element-binding protein 1(P16220)&Tumor necrosis factor(P01375)&Interleukin-1 beta(P01584)&Interleukin-6(P05231)&Gr |
Herbal Ingredients Targets |
No pre-computed analogs available. Try a structural similarity search.