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 |
-1.04 |
-55.9 |
5 |
10 |
-1 |
181 |
463.85 |
2 |
↓
|
|
Hi
High (pH 8-9.5)
|
-1.23 |
-0.05 |
-112.85 |
4 |
10 |
-2 |
184 |
462.842 |
2 |
↓
|
|
Mid
Mid (pH 6-8)
|
-1.96 |
-2.21 |
-19.86 |
6 |
10 |
0 |
178 |
464.858 |
1 |
↓
|
|
Mid
Mid (pH 6-8)
|
-1.23 |
1.1 |
-70.45 |
6 |
10 |
0 |
182 |
464.858 |
2 |
↓
|
|
Mid
Mid (pH 6-8)
|
-1.96 |
-2.11 |
-20.91 |
6 |
10 |
0 |
178 |
464.858 |
1 |
↓
|
|
Lo
Low (pH 4.5-6)
|
-1.96 |
-0.08 |
-52.34 |
7 |
10 |
1 |
180 |
465.866 |
1 |
↓
|
|
Lo
Low (pH 4.5-6)
|
-1.96 |
0.03 |
-92.41 |
7 |
10 |
0 |
180 |
465.866 |
1 |
↓
|
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.
