In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 20 | Yes |
Popular Name: 4-bromo-2-[(1S)-1-[[(1S,2R)-2-ethylcyclohexyl]amino]propyl]phenol 4-bromo-2-[(1S)-1-[[(1S,2R)-2-et…
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) | 5.03 | 8.34 | -33.64 | 3 | 2 | 1 | 37 | 341.313 | 5 | ↓ |
Hi High (pH 8-9.5) | 5.03 | 9.06 | -32.3 | 2 | 2 | 0 | 40 | 340.305 | 5 | ↓ |