In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2010 | 19 | Yes |
Popular Name: 2-methyl-N-[[1-[2-(4-methylpyrazol-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine 2-methyl-N-[[1-[2-(4-methylpyraz…
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) | 1.29 | 5.2 | -42 | 2 | 6 | 1 | 65 | 263.369 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.29 | 3.97 | -11.25 | 1 | 6 | 0 | 61 | 262.361 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.