| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 15 | Yes |
Popular Name: (1S)-N-methyl-1-[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]propan-1-amine (1S)-N-methyl-1-[5-(2-thienyl)-1…
| 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) | 2.02 | 4.36 | -35.41 | 3 | 4 | 1 | 58 | 223.325 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.02 | 2.83 | -6.92 | 2 | 4 | 0 | 54 | 222.317 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
