| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 13 | Yes |
Popular Name: 2-Quinazolinamine, 1,4-dihydro-8-methoxy- (9CI) 2-Quinazolinamine, 1,4-dihydro-8…
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CAS Number: 754975-53-6
| 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) | 0.71 | 3.42 | -27.62 | 4 | 4 | 1 | 61 | 178.215 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.71 | 2.87 | -13.53 | 3 | 4 | 0 | 60 | 177.207 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT5A-1-E | Serotonin 5a (5-HT5a) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 97 | 0.76 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT5A_HUMAN | P47898 | Serotonin 5a (5-HT5a) Receptor, Human | 97 | 0.76 | Binding ≤ 1μM |
| 5HT5A_HUMAN | P47898 | Serotonin 5a (5-HT5a) Receptor, Human | 97 | 0.76 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Serotonin receptors |
No pre-computed analogs available. Try a structural similarity search.