In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 26th, 2010 | 20 | No |
Popular Name: 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione 3-[[4-(4-chlorophenyl)piperazin-…
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) | 2.67 | 6.8 | -11.69 | 0 | 4 | 0 | 24 | 326.878 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.67 | 9.13 | -45.43 | 1 | 4 | 1 | 26 | 327.886 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.