In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2008 | 22 | Yes |
Popular Name: N-[(3,5-dibromo-2-propoxy-phenyl)methyl]-N',N'-diethyl-propane-1,3-diamine N-[(3,5-dibromo-2-propoxy-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) | 4.96 | 10.07 | -35.76 | 2 | 3 | 1 | 26 | 437.24 | 11 | ↓ |
Mid Mid (pH 6-8) | 4.96 | 11.5 | -112.42 | 3 | 3 | 2 | 30 | 438.248 | 11 | ↓ |
Mid Mid (pH 6-8) | 4.96 | 9.27 | -43.34 | 2 | 3 | 1 | 29 | 437.24 | 11 | ↓ |