In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2009 | 20 | Yes |
Popular Name: (2R)-N-[(5-bromo-2-fluoro-phenyl)methyl]-2-methyl-3-(1-piperidyl)propan-1-amine (2R)-N-[(5-bromo-2-fluoro-phenyl…
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) | 4.08 | 10.56 | -103.89 | 3 | 2 | 2 | 21 | 345.3 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.08 | 8.63 | -39.95 | 2 | 2 | 1 | 20 | 344.292 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.08 | 9.17 | -32.74 | 2 | 2 | 1 | 16 | 344.292 | 6 | ↓ |