In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 21 | Yes |
Popular Name: (2S)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]-N,N-diethyl-propanamide (2S)-2-[(6-bromo-1,3-benzodioxol…
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) | 2.56 | 6.38 | -41.72 | 2 | 5 | 1 | 55 | 358.256 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.56 | 5.14 | -10.39 | 1 | 5 | 0 | 51 | 357.248 | 6 | ↓ |