| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 20 | Yes |
Popular Name: 4-[(1S)-1-[[(1S)-1-(4-hydroxyphenyl)ethyl]amino]ethyl]benzonitrile 4-[(1S)-1-[[(1S)-1-(4-hydroxyphe…
| 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) | 3.29 | 7.02 | -52.5 | 3 | 3 | 1 | 61 | 267.352 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.29 | 6.17 | -7.59 | 2 | 3 | 0 | 56 | 266.344 | 4 | ↓ |
