| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 16th, 2009 | 31 | No |
Popular Name: N-[[5-(2-Fluorophenyl)-2,3-dihydro-1-methyl-1H-1,4-benzodiazepin-2-yl]methyl]phthalimide N-[[5-(2-Fluorophenyl)-2,3-dihyd…
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CAS Number: 94030-96-3
| 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) | 4.08 | 9.99 | -24.3 | 1 | 5 | 1 | 56 | 414.46 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.08 | 9.39 | -16.77 | 0 | 5 | 0 | 55 | 413.452 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCKAR-1-E | Cholecystokinin A Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4300 | 0.24 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCKAR_RAT | P30551 | Cholecystokinin A Receptor, Rat | 4300 | 0.24 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.