In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 20 | Yes |
Popular Name: (1R)-1-(1,3-benzodioxol-5-yl)-N'-[(1S)-1-cyclopropylethyl]-N,N'-dimethyl-ethane-1,2-diamine (1R)-1-(1,3-benzodioxol-5-yl)-N'…
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) | 2.80 | 7.46 | -121.55 | 3 | 4 | 2 | 40 | 278.396 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.80 | 5.4 | -47.43 | 2 | 4 | 1 | 38 | 277.388 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.80 | 6.21 | -35.11 | 2 | 4 | 1 | 35 | 277.388 | 6 | ↓ |