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)
|
5.66 |
13.8 |
-99.91 |
4 |
8 |
2 |
86 |
610.751 |
2 |
↓
|
|
Hi
High (pH 8-9.5)
|
5.66 |
9.23 |
-13.18 |
2 |
8 |
0 |
84 |
608.735 |
2 |
↓
|
|
Hi
High (pH 8-9.5)
|
5.66 |
10.13 |
-60.49 |
1 |
8 |
-1 |
87 |
607.727 |
2 |
↓
|
|
Mid
Mid (pH 6-8)
|
5.66 |
11.46 |
-53.14 |
3 |
8 |
1 |
85 |
609.743 |
2 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| Molecular_Solubility |
7.375 |
Bitter DB |
No pre-computed analogs available. Try a structural similarity search.
