| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2009 | 32 | No |
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CAS Numbers: 10592-13-9 , 17086-28-1 , no cas
4-(Dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetra
| 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) | -0.87 | -0.53 | -50.89 | 7 | 10 | 0 | 186 | 444.44 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.43 | 0.82 | -114.35 | 6 | 10 | -1 | 188 | 443.432 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.43 | -0.73 | -131.34 | 5 | 10 | -2 | 187 | 442.424 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.87 | -2.48 | -57.78 | 6 | 10 | -1 | 184 | 443.432 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.46 | 0.52 | -79.45 | 6 | 10 | 0 | 182 | 444.44 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | bP/USP/EP | APIChem |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : D-9198; NCC_SUPPLIER_SAMPLE_COMMENTS : LIGHT-YELLOW POWDER | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: D-9198; SUPPLIER_COMMENTS: LIGHT-YELLOW POWDER | NIH Clinical Collection via PubChem |
No pre-computed analogs available. Try a structural similarity search.