In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 21 | Yes |
Popular Name: (1R)-1-(benzofuran-2-yl)-N'-(2-dimethylaminoethyl)-N'-propyl-ethane-1,2-diamine (1R)-1-(benzofuran-2-yl)-N'-(2-d…
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) | 0.93 | 6.58 | -99.28 | 4 | 4 | 2 | 48 | 291.439 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.93 | 6.16 | -38.39 | 3 | 4 | 1 | 47 | 290.431 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.93 | 4.09 | -41.59 | 3 | 4 | 1 | 47 | 290.431 | 8 | ↓ |