In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 21 | Yes |
Popular Name: N-[(5-bromo-2-fluoro-phenyl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine N-[(5-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) | 3.13 | 8.05 | -92.61 | 3 | 3 | 2 | 24 | 360.315 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.13 | 4.55 | -2.09 | 1 | 3 | 0 | 19 | 358.299 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.13 | 6.54 | -31.42 | 2 | 3 | 1 | 20 | 359.307 | 5 | ↓ |