| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 17 | Yes |
Popular Name: (1S)-3-methyl-1-[2-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]butan-1-amine (1S)-3-methyl-1-[2-methyl-5-(2-t…
| 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) | 0.61 | 5.26 | -49.1 | 3 | 4 | 1 | 58 | 251.379 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.61 | 4.98 | -9.8 | 2 | 4 | 0 | 57 | 250.371 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
