| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 20th, 2011 | 18 | No |
Popular Name: 9-azido-3,4-dihydro-2H-benzothiopheno[2,3-f][1,4]thiazepin-5-one 9-azido-3,4-dihydro-2H-benzothio…
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| 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) | 3.59 | 2.8 | -9.85 | 1 | 5 | 0 | 79 | 276.346 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PKD1-1-E | Polycystin-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 75 | 0.55 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PKD1_HUMAN | P98161 | Polycystin-1, Human | 74.9 | 0.55 | Binding ≤ 1μM |
| PKD1_HUMAN | P98161 | Polycystin-1, Human | 2200 | 0.44 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
![3,4-dihydro-2H-benzothiopheno[2,3-f][1,4]thiazepin-5-one](http://zinc12.docking.org/img/rings/484365.gif)