| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 15 | Yes |
Popular Name: 7-(1,2,4-triazol-4-yl)-1,2,3,4-tetrahydroisoquinoline 7-(1,2,4-triazol-4-yl)-1,2,3,4-t…
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CAS Number: 787640-40-8
| 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) | 0.47 | 6.19 | -9.75 | 1 | 4 | 0 | 43 | 200.245 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.47 | 7.56 | -54.46 | 2 | 4 | 1 | 47 | 201.253 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
