In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2004 | 16 | No |
Popular Name: 5,5'-bis[4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione] 5,5'-bis[4-ethyl-2,4-dihydro-3H-…
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) | 1.60 | 7.87 | -83.81 | 0 | 6 | -2 | 61 | 254.344 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.87 | 7.82 | -36.04 | 1 | 6 | -1 | 64 | 255.352 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.