| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2011 | 25 | Yes |
Popular Name: 1-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-N-isobutyl-5-methyl-triazole-4-carboxamide 1-(2-ethyl-3,4-dihydro-1H-isoqui…
| 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) | 2.24 | 8.44 | -41.83 | 2 | 6 | 1 | 64 | 342.467 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.24 | 6.15 | -8.03 | 1 | 6 | 0 | 63 | 341.459 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
