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)
|
-1.23 |
-0.09 |
-60.86 |
5 |
10 |
-1 |
181 |
463.85 |
2 |
↓
|
|
Hi
High (pH 8-9.5)
|
-0.64 |
-0.07 |
-231.38 |
4 |
10 |
-3 |
190 |
461.834 |
2 |
↓
|
|
Hi
High (pH 8-9.5)
|
-1.23 |
0.9 |
-118.5 |
4 |
10 |
-2 |
184 |
462.842 |
2 |
↓
|
|
Mid
Mid (pH 6-8)
|
-0.64 |
0.33 |
-114.94 |
6 |
10 |
-1 |
188 |
463.85 |
2 |
↓
|
|
Mid
Mid (pH 6-8)
|
-0.64 |
-1.06 |
-136.95 |
5 |
10 |
-2 |
187 |
462.842 |
2 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| PUBCHEM_SUBSTANCE_COMMENT |
NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : A-8904; NCC_SUPPLIER_SAMPLE_COMMENTS : LIGHT-YELLOW POWDER |
NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT |
SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: A-8904; SUPPLIER_COMMENTS: LIGHT-YELLOW POWDER |
NIH Clinical Collection via PubChem |
No pre-computed analogs available. Try a structural similarity search.
