| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2009 | 16 | No |
Popular Name: 3-isopropyl-4-(2-thienylmethyleneamino)-1H-1,2,4-triazole-5-thione 3-isopropyl-4-(2-thienylmethylen…
| 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) | 2.65 | 6.84 | -52.31 | 0 | 4 | -1 | 43 | 251.36 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 6.89 | -12.91 | 1 | 4 | 0 | 46 | 252.368 | 3 | ↓ |
