In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 19 | Yes |
Popular Name: N-[(4-bromo-2-fluoro-phenyl)methyl]-3-morpholino-propan-1-amine N-[(4-bromo-2-fluoro-phenyl)meth…
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) | 2.54 | 5.18 | -45.42 | 2 | 3 | 1 | 29 | 332.237 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.54 | 3.8 | -4.87 | 1 | 3 | 0 | 24 | 331.229 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.54 | 7.45 | -112.23 | 3 | 3 | 2 | 30 | 333.245 | 6 | ↓ |