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)
|
-1.46 |
-0.23 |
-37.22 |
5 |
10 |
0 |
181 |
443.432 |
2 |
↓
|
|
Hi
High (pH 8-9.5)
|
-0.87 |
1.48 |
-175.11 |
5 |
10 |
-2 |
191 |
442.424 |
2 |
↓
|
|
Mid
Mid (pH 6-8)
|
-0.43 |
0.62 |
-91.01 |
6 |
10 |
-1 |
188 |
443.432 |
2 |
↓
|
|
Mid
Mid (pH 6-8)
|
-1.46 |
2.21 |
-54.12 |
5 |
10 |
0 |
185 |
443.432 |
2 |
↓
|
|
Mid
Mid (pH 6-8)
|
-1.46 |
1.5 |
-59.22 |
6 |
10 |
0 |
182 |
444.44 |
2 |
↓
|
|
Mid
Mid (pH 6-8)
|
-1.46 |
1.37 |
-73.32 |
6 |
10 |
0 |
182 |
444.44 |
2 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| PUBCHEM_SUBSTANCE_COMMENT |
NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : D-9198; NCC_SUPPLIER_SAMPLE_COMMENTS : LIGHT-YELLOW POWDER |
NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT |
SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: D-9198; SUPPLIER_COMMENTS: LIGHT-YELLOW POWDER |
NIH Clinical Collection via PubChem |
No pre-computed analogs available. Try a structural similarity search.
