In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 18 | Yes |
Popular Name: N-[(3,5-dibromo-4-ethoxy-phenyl)methyl]-N',N'-dimethyl-ethane-1,2-diamine N-[(3,5-dibromo-4-ethoxy-phenyl)…
None
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) | 3.43 | 5.79 | -48.22 | 2 | 3 | 1 | 29 | 381.132 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.43 | 4.41 | -3.25 | 1 | 3 | 0 | 24 | 380.124 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.43 | 6.9 | -38.97 | 2 | 3 | 1 | 26 | 381.132 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.43 | 8.24 | -124.27 | 3 | 3 | 2 | 30 | 382.14 | 7 | ↓ |