| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 15th, 2011 | 20 | Yes |
Popular Name: N-[(2S)-2-amino-2-phenyl-ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide N-[(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) | -2.13 | -0.81 | -65.36 | 6 | 7 | 1 | 122 | 275.288 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.68 | -4.02 | -45.45 | 4 | 7 | -1 | 124 | 273.272 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.68 | -3.02 | -35.28 | 4 | 7 | -1 | 124 | 273.272 | 4 | ↓ |
| Mid Mid (pH 6-8) | -2.13 | -1.25 | -10.55 | 5 | 7 | 0 | 121 | 274.28 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
