In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 3rd, 2010 | 22 | No |
Popular Name: 1-[(6-chloro-3-methyl-2-thioxo-benzimidazol-1-yl)methyl]piperidine-4-carboxamide 1-[(6-chloro-3-methyl-2-thioxo-b…
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) | 1.73 | 5.96 | -18.68 | 2 | 5 | 0 | 56 | 338.864 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.73 | 8.22 | -50.84 | 3 | 5 | 1 | 57 | 339.872 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.