In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2010 | 16 | Yes |
Popular Name: N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine N-[[1-[2-(1,2,4-triazol-1-yl)eth…
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) | -0.83 | 5.03 | -48.24 | 2 | 7 | 1 | 78 | 222.276 | 6 | ↓ |
Hi High (pH 8-9.5) | -0.83 | 3.65 | -12.18 | 1 | 7 | 0 | 73 | 221.268 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.