| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 16 | Yes |
Popular Name: (1S,2R)-2-methyl-1-[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]butan-1-amine (1S,2R)-2-methyl-1-[5-(2-thienyl…
| 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) | 0.51 | 4.18 | -40.69 | 4 | 4 | 1 | 69 | 237.352 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.51 | 3.73 | -7.67 | 3 | 4 | 0 | 68 | 236.344 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
