| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 16 | No |
Popular Name: 5-methyl-4-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]-1,2,4-triazole-3-thiol 5-methyl-4-[(4R)-4,5,6,7-tetrahy…
| 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) | 1.52 | 7.49 | -11.68 | 1 | 3 | 0 | 34 | 251.38 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 7.57 | -42.74 | 0 | 3 | -1 | 31 | 250.372 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
