| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 18 | Yes |
Popular Name: N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-triazole-4-carboxamide N-(1,2,3,4-tetrahydroisoquinolin…
| 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) | 0.44 | 0.26 | -8.1 | 3 | 6 | 0 | 83 | 243.27 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.44 | 0.24 | -37.46 | 2 | 6 | -1 | 81 | 242.262 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.44 | 1.63 | -49.23 | 4 | 6 | 1 | 87 | 244.278 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
