| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 21 | Yes |
Popular Name: 4-[(1S)-1-[[(1R)-1-(2,4-dihydroxyphenyl)ethyl]amino]ethyl]benzonitrile 4-[(1S)-1-[[(1R)-1-(2,4-dihydrox…
| 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) | 3.21 | 4.25 | -53.66 | 4 | 4 | 1 | 81 | 283.351 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.21 | 3.3 | -8.59 | 3 | 4 | 0 | 76 | 282.343 | 4 | ↓ |
