In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 2nd, 2011 | 25 | Yes |
Popular Name: N-ethyl-N-[1-[(4-imidazol-1-ylphenyl)methyl]-4-piperidyl]methanesulfonamide N-ethyl-N-[1-[(4-imidazol-1-ylph…
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) | 1.24 | 9.01 | -59.35 | 1 | 6 | 1 | 60 | 363.507 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.24 | 6.78 | -14.42 | 0 | 6 | 0 | 58 | 362.499 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.24 | 9.54 | -100.01 | 2 | 6 | 2 | 61 | 364.515 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.