| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 21 | Yes |
Popular Name: (3S)-3-[2-(3-methylphenoxy)ethylamino]-3-phenyl-propanenitrile (3S)-3-[2-(3-methylphenoxy)ethyl…
| 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) | 2.34 | 8.37 | -7.97 | 1 | 3 | 0 | 45 | 280.371 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.34 | 9.59 | -47.28 | 2 | 3 | 1 | 50 | 281.379 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
