In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 20 | Yes |
Popular Name: 2-[(1S)-1-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]ethyl]phenol 2-[(1S)-1-[[(1R)-1-(2,5-dimethyl…
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) | 4.78 | 7.93 | -38.2 | 3 | 2 | 1 | 37 | 270.396 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.78 | 7.55 | -5.3 | 2 | 2 | 0 | 32 | 269.388 | 4 | ↓ |