In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2010 | 20 | Yes |
Popular Name: N-[[(3S)-1-[(3-bromo-4-fluoro-phenyl)methyl]-3-piperidyl]methyl]propan-1-amine N-[[(3S)-1-[(3-bromo-4-fluoro-ph…
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) | 3.73 | 8.15 | -42.02 | 2 | 2 | 1 | 20 | 344.292 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.73 | 10.38 | -113.14 | 3 | 2 | 2 | 21 | 345.3 | 6 | ↓ |