| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 15th, 2011 | 21 | Yes |
Popular Name: 1-[(2S)-2-amino-2-phenyl-ethyl]-3-(4-cyanophenyl)urea 1-[(2S)-2-amino-2-phenyl-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) | 0.31 | 4.67 | -61.85 | 5 | 5 | 1 | 93 | 281.339 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.31 | 4.31 | -12.65 | 4 | 5 | 0 | 91 | 280.331 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
