In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2009 | 20 | Yes |
Popular Name: 2-(4-amino-1-piperidyl)-N-[(5-bromo-2-thienyl)methyl]-N-ethyl-acetamide 2-(4-amino-1-piperidyl)-N-[(5-br…
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) | 1.57 | 4.81 | -45.14 | 3 | 4 | 1 | 51 | 361.329 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.57 | 7.01 | -109.33 | 4 | 4 | 2 | 52 | 362.337 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.