| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 16 | No |
Popular Name: 4-amino-5-(4,5,6,7-tetrahydrobenzothiophen-2-yl)-1,2,4-triazole-3-thiol 4-amino-5-(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) | 2.63 | 6.95 | -45.13 | 2 | 4 | -1 | 57 | 251.36 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.91 | 7.1 | -12.15 | 3 | 4 | 0 | 60 | 252.368 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80384-1-O | PBL (Peripheral Blood Lymphocytes) (cluster #1 Of 1), Other | Other | 2670 | 0.49 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80384 | Z80384 | PBL (Peripheral Blood Lymphocytes) | 140 | 0.60 | ADME/T ≤ 10μM |
