In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2010 | 18 | Yes |
Popular Name: 2-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine 2-methyl-N-[[1-[2-(1,2,4-triazol…
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) | -0.02 | 5.98 | -44.95 | 2 | 7 | 1 | 78 | 250.33 | 6 | ↓ |
Hi High (pH 8-9.5) | -0.02 | 4.74 | -11.82 | 1 | 7 | 0 | 73 | 249.322 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.