| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2011 | 17 | Yes |
Popular Name: (1S)-1-(3-methyl-2-thienyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine (1S)-1-(3-methyl-2-thienyl)-N-[(…
| 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) | 1.92 | 7.8 | -40.89 | 2 | 4 | 1 | 47 | 251.379 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 6.79 | -12.75 | 1 | 4 | 0 | 43 | 250.371 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
