| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2010 | 20 | No |
Popular Name: 4-[[butyl(ethyl)amino]methyl]-3-(2-thienylmethyl)-1H-1,2,4-triazole-5-thione 4-[[butyl(ethyl)amino]methyl]-3-…
| 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) | 3.24 | 9.24 | -12.55 | 1 | 4 | 0 | 37 | 310.492 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.24 | 11.39 | -48.72 | 2 | 4 | 1 | 38 | 311.5 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.97 | 10.87 | -38.85 | 1 | 4 | 0 | 35 | 310.492 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.97 | 9.73 | -43.15 | 0 | 4 | -1 | 34 | 309.484 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
