| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 1st, 2009 | 22 | Yes |
Popular Name: 851373-13-2; Bixalomer (JAN/USAN/INN); D09586 851373-13-2; Bixalomer (JAN/USAN…
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CAS Number: 851373-13-2
| 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) | -2.79 | -0.61 | -358.64 | 13 | 6 | 5 | 118 | 321.578 | 17 | ↓ |
| Hi High (pH 8-9.5) | -2.79 | -3.07 | -160.29 | 11 | 6 | 3 | 115 | 319.562 | 17 | ↓ |
| Mid Mid (pH 6-8) | -2.79 | -0.99 | -253.14 | 12 | 6 | 4 | 117 | 320.57 | 17 | ↓ |
| Mid Mid (pH 6-8) | -2.79 | -2.69 | -235.43 | 12 | 6 | 4 | 117 | 320.57 | 17 | ↓ |
| Lo Low (pH 4.5-6) | -2.79 | 1.52 | -508.26 | 14 | 6 | 6 | 119 | 322.586 | 17 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80608-2-O | ZR-75-1 (Breast Carcinoma Cells) (cluster #2 Of 4), Other | Other | 560 | 0.40 | Functional ≤ 10μM |
| Z80712-6-O | T47D (Breast Carcinoma Cells) (cluster #6 Of 7), Other | Other | 6200 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80712 | Z80712 | T47D (Breast Carcinoma Cells) | 2400 | 0.36 | Functional ≤ 10μM |
| Z80608 | Z80608 | ZR-75-1 (Breast Carcinoma Cells) | 560 | 0.40 | Functional ≤ 10μM |
