In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 20 | Yes |
Popular Name: (2S)-N2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N1,N1-diethyl-propane-1,2-diamine (2S)-N2-(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) | 2.12 | 6.17 | -38.68 | 2 | 4 | 1 | 38 | 279.404 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.12 | 6.65 | -37.98 | 2 | 4 | 1 | 35 | 279.404 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.12 | 7.92 | -117.91 | 3 | 4 | 2 | 40 | 280.412 | 7 | ↓ |