| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2011 | 29 | Yes |
Popular Name: N-[(1R)-1-cyanoethyl]-3-[5-[4-[(isopropylamino)methyl]phenyl]isoxazol-3-yl]benzamide N-[(1R)-1-cyanoethyl]-3-[5-[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) | 3.53 | 9.7 | -56.66 | 3 | 6 | 1 | 96 | 389.479 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PKD1-1-E | Polycystin-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9 | 0.39 | Binding ≤ 10μM |
| Q9ERV0-1-E | Pkd1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 460 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9ERV0_RAT | Q9ERV0 | Pkd1, Rat | 460 | 0.31 | Binding ≤ 1μM |
| PKD1_HUMAN | P98161 | Polycystin-1, Human | 9 | 0.39 | Binding ≤ 1μM |
| Q9ERV0_RAT | Q9ERV0 | Pkd1, Rat | 460 | 0.31 | Binding ≤ 10μM |
| PKD1_HUMAN | P98161 | Polycystin-1, Human | 9 | 0.39 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
