In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2011 | 21 | Yes |
Popular Name: 2-[4-(2-aminoethyl)-1-piperidyl]-N-[(5-chloro-2-thienyl)methyl]-N-methyl-acetamide 2-[4-(2-aminoethyl)-1-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) | 1.82 | 7.37 | -98.48 | 4 | 4 | 2 | 52 | 331.913 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.82 | 5.18 | -47.98 | 3 | 4 | 1 | 51 | 330.905 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.