In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2009 | 20 | Yes |
Popular Name: 1-(3,5-dibromo-2-ethoxy-phenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]methanamine 1-(3,5-dibromo-2-ethoxy-phenyl)-…
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) | 3.03 | 6.19 | -43.59 | 2 | 4 | 1 | 44 | 410.126 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.03 | 4.84 | -4.6 | 1 | 4 | 0 | 40 | 409.118 | 6 | ↓ |