In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 21 | Yes |
Popular Name: (2R)-2-(7-bromo-1,3-benzodioxol-5-yl)-2-[(2S)-2-ethyl-1-piperidyl]ethanamine (2R)-2-(7-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) | 3.13 | 4.96 | -53.9 | 3 | 4 | 1 | 49 | 356.284 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.13 | 6.33 | -33.83 | 3 | 4 | 1 | 49 | 356.284 | 4 | ↓ |