| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2005 | 33 | Yes |
Popular Name: 3-[(4-methoxyphenyl)methyl]-2,4-dioxo-N-[3-(1-piperidyl)propyl]-1H-quinazoline-7-carboxamide 3-[(4-methoxyphenyl)methyl]-2,4-…
| 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) | 2.73 | 9.38 | -50.74 | 3 | 8 | 1 | 98 | 451.547 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.18 | 7.58 | -73.39 | 2 | 8 | 0 | 101 | 450.539 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAC1G-1-E | Voltage-gated T-type Calcium Channel Alpha-1G Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3110 | 0.23 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAC1G_HUMAN | O43497 | Voltage-gated T-type Calcium Channel Alpha-1G Subunit, Human | 3110 | 0.23 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| NCAM1 interactions |
