| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 30 | No |
Popular Name: VALTRATE VALTRATE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 18296-44-1 , [18296-44-1]
| 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) | 3.31 | 4.07 | -15.4 | 0 | 8 | 0 | 100 | 422.474 | 11 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0440494A3; EP1059930A1; US5078750; US5506268; US5763494; WO1994028888A1; WO1997039355A1; WO1998008498A1; WO1999021006A1; WO1999044623A1; WO2000051586A2 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682-6-O | A549 (Lung Carcinoma Cells) (cluster #6 Of 11), Other | Other | 3700 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 3700 | 0.25 | Functional ≤ 10μM |
