In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 21 | Yes |
Popular Name: 2-[(1S)-1-[[(1S)-2-(4-bromophenyl)-1-methyl-ethyl]amino]ethyl]benzene-1,4-diol 2-[(1S)-1-[[(1S)-2-(4-bromopheny…
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) | 4.44 | 4.5 | -5.73 | 3 | 3 | 0 | 52 | 350.256 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.44 | 5.3 | -41.93 | 4 | 3 | 1 | 57 | 351.264 | 5 | ↓ |