| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 18 | No |
Popular Name: 5-isopropyl-4-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]-1,2,4-triazole-3-thiol 5-isopropyl-4-[(4S)-4,5,6,7-tetr…
| 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) | 2.58 | 9.54 | -10.7 | 1 | 3 | 0 | 34 | 279.434 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.31 | 9.51 | -46.29 | 0 | 3 | -1 | 31 | 278.426 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
