In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 26th, 2010 | 19 | Yes |
Popular Name: N-(4-cyano-1-methyl-4-piperidyl)-5-ethyl-thiophene-2-carboxamide N-(4-cyano-1-methyl-4-piperidyl)…
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) | 2.10 | 6.46 | -50.29 | 2 | 4 | 1 | 57 | 278.401 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.10 | 4.06 | -12.14 | 1 | 4 | 0 | 56 | 277.393 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.