In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2010 | 17 | Yes |
Popular Name: N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-furyl]methyl]ethanamine N-[[3-[(3,5-dimethyl-1,2,4-triaz…
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) | 0.35 | 6.42 | -34.77 | 2 | 5 | 1 | 60 | 235.311 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.35 | 6.86 | -84.56 | 3 | 5 | 2 | 62 | 236.319 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.