| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 24 | No |
Popular Name: D-myo-Inositol-1,4,6-triphosphate (sodium salt) D-myo-Inositol-1,4,6-triphosphat…
Find On: PubMed — Wikipedia — Google
CAS Number: 157380-18-2
| 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 | -8.51 | -469.04 | 4 | 15 | -5 | 275 | 415.053 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.71 | -8.51 | -455.14 | 4 | 15 | -5 | 275 | 415.053 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.71 | -8.48 | -497.11 | 4 | 15 | -5 | 275 | 415.053 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.71 | -7.36 | -639.8 | 3 | 15 | -6 | 278 | 414.045 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -4.71 | -11.16 | -198.17 | 6 | 15 | -3 | 269 | 417.069 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597-4-O | Rattus Norvegicus (cluster #4 Of 12), Other | Other | 119 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597 | Z50597 | Rattus Norvegicus | 119 | 0.40 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.