In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2010 | 18 | Yes |
Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-2-butoxy-N-methyl-ethanamine (1S)-1-(1,3-benzodioxol-5-yl)-2-…
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) | 2.99 | 5.34 | -41.59 | 2 | 4 | 1 | 44 | 252.334 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.99 | 4.23 | -5 | 1 | 4 | 0 | 40 | 251.326 | 7 | ↓ |