In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 27th, 2008 | 18 | No |
Popular Name: DNC006762 DNC006762
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1267671-95-3 , 57644-24-3
(3Z)-3-[(4-chlorophenyl)imino]-1,3-dihydro-2H-indol-2-one
(E)-3-(4-chlorophenylimino)indolin-2-one
3-[(4-chlorophenyl)imino]-1,3-dihydro-2H-indol-2-one
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) | 3.92 | 5.37 | -8.91 | 1 | 3 | 0 | 45 | 256.692 | 1 | ↓ |
Hi High (pH 8-9.5) | 4.37 | 3.39 | -46.35 | 0 | 3 | -1 | 48 | 255.684 | 1 | ↓ |
Hi High (pH 8-9.5) | 4.37 | 3.9 | -42.68 | 0 | 3 | -1 | 48 | 255.684 | 1 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
GALR3-1-E | Galanin Receptor 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 850 | 0.47 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
GALR3_HUMAN | O60755 | Galanin Receptor 3, Human | 850 | 0.47 | Binding ≤ 1μM |
GALR3_HUMAN | O60755 | Galanin Receptor 3, Human | 850 | 0.47 | Binding ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
Peptide ligand-binding receptors |