In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 27th, 2011 | 17 | Yes |
Popular Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethyl-prop-2-en-1-amine N-[[(3S)-2,3-dihydro-1,4-benzodi…
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) | 2.51 | 7.66 | -37.06 | 1 | 3 | 1 | 23 | 234.319 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.51 | 5.61 | -5.37 | 0 | 3 | 0 | 22 | 233.311 | 5 | ↓ |