| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 20 | Yes |
Popular Name: (3R)-3-(5-isobutyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline (3R)-3-(5-isobutyl-2-methyl-1,2,…
| 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) | 2.10 | 6.82 | -7.14 | 1 | 4 | 0 | 43 | 270.38 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.10 | 8.08 | -43.22 | 2 | 4 | 1 | 47 | 271.388 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.10 | 7.71 | -29.98 | 2 | 4 | 1 | 44 | 271.388 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
