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)
|
3.18 |
4.99 |
-12.58 |
2 |
4 |
0 |
50 |
256.305 |
4 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
MTR1A-2-E |
Melatonin Receptor 1A (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
84 |
0.52 |
Binding ≤ 10μM
|
MTR1B-2-E |
Melatonin Receptor 1B (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
4 |
0.62 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Class A/1 (Rhodopsin-like receptors) |
|
G alpha (i) signalling events |
|
No pre-computed analogs available. Try a structural similarity search.