| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2010 | 20 | No |
Popular Name: 4-[(dipropylamino)methyl]-3-(2-thienylmethyl)-1H-1,2,4-triazole-5-thione 4-[(dipropylamino)methyl]-3-(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) | 3.19 | 9.14 | -10.81 | 1 | 4 | 0 | 37 | 310.492 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.19 | 11.01 | -48.83 | 2 | 4 | 1 | 38 | 311.5 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.91 | 10.81 | -42.84 | 1 | 4 | 0 | 35 | 310.492 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.91 | 9.71 | -42.53 | 0 | 4 | -1 | 34 | 309.484 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
