In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2010 | 20 | Yes |
Popular Name: N-[(3-bromo-4-methoxy-phenyl)methyl]-1-ethyl-N-methyl-piperidin-4-amine N-[(3-bromo-4-methoxy-phenyl)met…
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) | 3.33 | 7.66 | -40.02 | 1 | 3 | 1 | 17 | 342.301 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.33 | 7.6 | -37.8 | 1 | 3 | 1 | 17 | 342.301 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.33 | 9.91 | -108.4 | 2 | 3 | 2 | 18 | 343.309 | 5 | ↓ |