In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 20 | Yes |
Popular Name: N,N-diethyl-N'-[(1R)-1-(3-methylbenzofuran-2-yl)ethyl]ethane-1,2-diamine N,N-diethyl-N'-[(1R)-1-(3-methyl…
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) | 3.78 | 7.44 | -38.4 | 2 | 3 | 1 | 33 | 275.416 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.78 | 6.18 | -4.92 | 1 | 3 | 0 | 28 | 274.408 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.78 | 9.52 | -114.31 | 3 | 3 | 2 | 34 | 276.424 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.78 | 8.32 | -36.01 | 2 | 3 | 1 | 30 | 275.416 | 7 | ↓ |