In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 4th, 2009 | 20 | Yes |
Popular Name: 2-[4-[(2-bromophenyl)methylamino]-1-piperidyl]-N-methyl-acetamide 2-[4-[(2-bromophenyl)methylamino…
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) | 2.29 | 4.36 | -42.02 | 3 | 4 | 1 | 49 | 341.273 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.29 | 6.57 | -105.74 | 4 | 4 | 2 | 50 | 342.281 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.29 | 5.28 | -40.35 | 3 | 4 | 1 | 46 | 341.273 | 5 | ↓ |