In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 7th, 2011 | 25 | Yes |
Popular Name: N-benzyl-N-methyl-1-[6-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methanamine N-benzyl-N-methyl-1-[6-(o-tolyl)…
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) | 3.79 | 10.15 | -10.35 | 0 | 5 | 0 | 46 | 349.463 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.79 | 12.46 | -40.66 | 1 | 5 | 1 | 48 | 350.471 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.