In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2011 | 21 | Yes |
Popular Name: (2S)-N-[(3,5-dibromo-2-ethoxy-phenyl)methyl]octan-2-amine (2S)-N-[(3,5-dibromo-2-ethoxy-ph…
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) | 6.69 | 11.31 | -39.23 | 2 | 2 | 1 | 26 | 422.225 | 10 | ↓ |
Hi High (pH 8-9.5) | 6.69 | 10.09 | -2.09 | 1 | 2 | 0 | 21 | 421.217 | 10 | ↓ |