| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2008 | 26 | Yes |
Sesamin [607-80-7]; (5,5'-(Tetrahydro-1H-3H-furo[3,4-c]furan-1,4-diyl)bis-1,3-benzodioxole)
| 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) | 3.69 | 5.73 | -11.42 | 0 | 6 | 0 | 55 | 354.358 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 122-123o C | Indofine |
| Therapy | antitubercular | SMDC MicroSource |
| SOLUBILITY | Chloroform,benzenz,acetic acid,acetone | Indofine |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80005-1-O | 3T3 (Fibroblast Cells) (cluster #1 Of 2), Other | Other | 200 | 0.36 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80005 | Z80005 | 3T3 (Fibroblast Cells) | 200 | 0.36 | ADME/T ≤ 10μM |
