| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 16 | Yes |
Popular Name: N-methyl-N-[(1S)-1-(2-thienyl)ethyl]-1H-triazole-4-carboxamide N-methyl-N-[(1S)-1-(2-thienyl)et…
| 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) | 1.32 | 3.5 | -6.95 | 1 | 5 | 0 | 62 | 236.3 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.32 | 3.47 | -36.37 | 0 | 5 | -1 | 60 | 235.292 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
