| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2010 | 17 | No |
Popular Name: 4-ethyl-3-(4,5,6,7-tetrahydrobenzothiophen-2-yl)-1H-1,2,4-triazole-5-thione 4-ethyl-3-(4,5,6,7-tetrahydroben…
| 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) | 3.62 | 9.54 | -45.68 | 0 | 3 | -1 | 31 | 264.399 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.90 | 9.41 | -8.57 | 1 | 3 | 0 | 34 | 265.407 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80384-1-O | PBL (Peripheral Blood Lymphocytes) (cluster #1 Of 1), Other | Other | 290 | 0.54 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80384 | Z80384 | PBL (Peripheral Blood Lymphocytes) | 1810 | 0.47 | ADME/T ≤ 10μM |
