In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 2nd, 2011 | 20 | No |
Popular Name: N-ethyl-N-[1-[(2-thioxo-1,3,4-thiadiazol-3-yl)methyl]-4-piperidyl]methanesulfonamide N-ethyl-N-[1-[(2-thioxo-1,3,4-th…
None
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) | 0.57 | 2.62 | -17.52 | 0 | 6 | 0 | 58 | 336.508 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.57 | 4.98 | -51.53 | 1 | 6 | 1 | 60 | 337.516 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.