| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2010 | 19 | No |
Popular Name: 4-[[isobutyl(methyl)amino]methyl]-3-(2-thienylmethyl)-1H-1,2,4-triazole-5-thione 4-[[isobutyl(methyl)amino]methyl…
| 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) | 2.55 | 8.68 | -11 | 1 | 4 | 0 | 37 | 296.465 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 10.35 | -50.55 | 2 | 4 | 1 | 38 | 297.473 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.28 | 8.48 | -44 | 0 | 4 | -1 | 34 | 295.457 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.28 | 10.52 | -42.11 | 1 | 4 | 0 | 35 | 296.465 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
