| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 24 | Yes |
Popular Name: N-isobutyl-5-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)triazole-4-carboxamide N-isobutyl-5-methyl-1-(2-methyl-…
| 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) | 1.86 | 7.77 | -43.56 | 2 | 6 | 1 | 64 | 328.44 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.86 | 5.35 | -8.23 | 1 | 6 | 0 | 63 | 327.432 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
