| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 24 | No |
Popular Name: D-myo-Inositol-1,4,5-triphosphate (sodium salt) D-myo-Inositol-1,4,5-triphosphat…
Find On: PubMed — Wikipedia — Google
CAS Number: 141611-10-1
| 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) | -4.71 | -7.72 | -461.99 | 4 | 15 | -5 | 275 | 415.053 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.71 | -6.58 | -637 | 3 | 15 | -6 | 278 | 414.045 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.71 | -7.72 | -497.38 | 4 | 15 | -5 | 275 | 415.053 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.71 | -7.72 | -453.22 | 4 | 15 | -5 | 275 | 415.053 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -4.71 | -10.01 | -190.73 | 6 | 15 | -3 | 269 | 417.069 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ITPR3-1-E | Inositol 1,4,5-trisphosphate Receptor Type 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3000 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ITPR3_BOVIN | Q8WN95 | Inositol 1,4,5-trisphosphate Receptor Type 3, Bovin | 3000 | 0.32 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.