In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2008 | 17 | Yes |
Popular Name: N-[(1S)-1-(benzofuran-2-yl)ethyl]-N',N'-dimethyl-ethane-1,2-diamine N-[(1S)-1-(benzofuran-2-yl)ethyl…
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) | 2.65 | 5.21 | -39.5 | 2 | 3 | 1 | 33 | 233.335 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.65 | 3.91 | -4.97 | 1 | 3 | 0 | 28 | 232.327 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.65 | 7.74 | -114.95 | 3 | 3 | 2 | 34 | 234.343 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.65 | 6.44 | -38.15 | 2 | 3 | 1 | 30 | 233.335 | 5 | ↓ |