In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 20 | Yes |
Popular Name: (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-isobutyl-ethane-1,2-diamine (1R)-1-(2,3-dihydro-1,4-benzodio…
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) | 1.74 | 6.06 | -126.63 | 4 | 4 | 2 | 51 | 280.412 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.74 | 5.82 | -32.58 | 3 | 4 | 1 | 49 | 279.404 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.74 | 4.62 | -49.99 | 3 | 4 | 1 | 49 | 279.404 | 6 | ↓ |