| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2011 | 17 | Yes |
Popular Name: methoxyBLAHone methoxyBLAHone
None
| 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) | 1.33 | -0.47 | -13.26 | 1 | 5 | 0 | 64 | 267.335 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PKD1-1-E | Polycystin-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6800 | 0.43 | Binding ≤ 10μM |
| PKD2-1-E | Polycystin-2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 50 | 0.60 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PKD1_HUMAN | P98161 | Polycystin-1, Human | 124 | 0.57 | Binding ≤ 1μM |
| PKD2_HUMAN | Q13563 | Polycystin-2, Human | 50 | 0.60 | Binding ≤ 1μM |
| PKD1_HUMAN | P98161 | Polycystin-1, Human | 124 | 0.57 | Binding ≤ 10μM |
| PKD2_HUMAN | Q13563 | Polycystin-2, Human | 50 | 0.60 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
