In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2010 | 17 | Yes |
Popular Name: N-[(2-bromo-4-fluoro-phenyl)methyl]-N'-cyclopropyl-N-methyl-ethane-1,2-diamine N-[(2-bromo-4-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) | 2.79 | 8.51 | -114.55 | 3 | 2 | 2 | 21 | 303.219 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.79 | 4.83 | -2.93 | 1 | 2 | 0 | 15 | 301.203 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.79 | 7.21 | -37.78 | 2 | 2 | 1 | 16 | 302.211 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.79 | 6.12 | -37.67 | 2 | 2 | 1 | 20 | 302.211 | 6 | ↓ |