| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 21 | Yes |
Popular Name: 4-[(1S)-1-[[(1R)-1-(4-methylsulfanylphenyl)ethyl]amino]ethyl]benzonitrile 4-[(1S)-1-[[(1R)-1-(4-methylsulf…
| 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) | 4.20 | 10.85 | -51.04 | 2 | 2 | 1 | 40 | 297.447 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.20 | 9.9 | -6.4 | 1 | 2 | 0 | 36 | 296.439 | 5 | ↓ |
