| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 18 | Yes |
Popular Name: 2-methyl-N-[(4-phenyl-1H-triazol-5-yl)methyl]but-3-yn-2-amine 2-methyl-N-[(4-phenyl-1H-triazol…
| 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) | 2.23 | 4.37 | -5.94 | 2 | 4 | 0 | 54 | 240.31 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.23 | 5.13 | -35.77 | 3 | 4 | 1 | 58 | 241.318 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
