| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 19th, 2011 | 18 | Yes |
Popular Name: (1S)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(3-pyridyl)ethanamine (1S)-N-[(2-ethyl-1,2,4-triazol-3…
| 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) | 0.47 | 5.45 | -10.89 | 0 | 5 | 0 | 47 | 245.33 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.47 | 7.83 | -39.96 | 1 | 5 | 1 | 48 | 246.338 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
