In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 4th, 2009 | 21 | Yes |
Popular Name: 2-[4-[(5-bromo-3-thienyl)methylamino]-1-piperidyl]-N-propyl-acetamide 2-[4-[(5-bromo-3-thienyl)methyla…
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) | 2.92 | 4.95 | -47.72 | 3 | 4 | 1 | 49 | 375.356 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.92 | 3.75 | -8.43 | 2 | 4 | 0 | 44 | 374.348 | 7 | ↓ |