In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 20 | Yes |
Popular Name: N'-[(3,5-dibromo-2-ethoxy-phenyl)methyl]-N,N-diethyl-ethane-1,2-diamine N'-[(3,5-dibromo-2-ethoxy-phenyl…
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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) | 4.18 | 7.32 | -42.45 | 2 | 3 | 1 | 29 | 409.186 | 9 | ↓ |
Hi High (pH 8-9.5) | 4.18 | 5.98 | -2.55 | 1 | 3 | 0 | 24 | 408.178 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.18 | 8.77 | -38.08 | 2 | 3 | 1 | 26 | 409.186 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.18 | 9.53 | -118.41 | 3 | 3 | 2 | 30 | 410.194 | 9 | ↓ |