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)
|
-0.78 |
-3.66 |
-39.75 |
5 |
4 |
1 |
88 |
117.128 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
-1.62 |
-4.63 |
-27.29 |
5 |
4 |
0 |
94 |
116.12 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
-1.62 |
-4.56 |
-53.99 |
4 |
4 |
-1 |
92 |
115.112 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
-0.78 |
-4 |
-11.71 |
4 |
4 |
0 |
86 |
116.12 |
3 |
↓
|
Vendor Notes
Note Type |
Comments |
Provided By |
PUBCHEM_PATENT_ID |
EP0025233A1; EP0040149A1; EP0054514A1; EP0083864A2; EP0106404A2; EP0108942A2; EP0135376A2; EP0161017A1; EP0165123A2; EP0173510A2; EP0222591A2; EP0222591B1; EP0225066A2; EP0225634A2; EP0225634B1; EP0233154A2; EP0233154B1; EP0236874A2; EP0237082A2; EP023708 |
IBM Patent Data |
PUBCHEM_PATENT_ID |
WO2000055156A1 |
IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.