In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 20 | Yes |
Popular Name: (1R)-1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-ethyl-N-propyl-ethane-1,2-diamine (1R)-1-(5-bromo-2,3-dihydro-1,4-…
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) | 2.43 | 6.28 | -128.7 | 4 | 4 | 2 | 51 | 345.281 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.43 | 4.48 | -51.05 | 3 | 4 | 1 | 49 | 344.273 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.43 | 6.01 | -33.61 | 3 | 4 | 1 | 49 | 344.273 | 6 | ↓ |