| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2010 | 20 | No |
Popular Name: 2-[[[(1S)-1,2-dimethylpropyl]-ethyl-amino]methyl]-5-(2-thienyl)-4H-1,2,4-triazole-3-thione 2-[[[(1S)-1,2-dimethylpropyl]-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) | 3.19 | 10.04 | -31.83 | 2 | 4 | 1 | 38 | 311.5 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.92 | 9.36 | -29.25 | 1 | 4 | 0 | 35 | 310.492 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
