In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 20 | Yes |
Popular Name: (1R)-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-ethyl-N-isopropyl-ethane-1,2-diamine (1R)-1-(5-chloro-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) | 2.09 | 5.5 | -126.15 | 4 | 4 | 2 | 51 | 300.83 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.09 | 3.89 | -47.95 | 3 | 4 | 1 | 49 | 299.822 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.09 | 5.11 | -32.84 | 3 | 4 | 1 | 49 | 299.822 | 5 | ↓ |