| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 15th, 2011 | 21 | Yes |
Popular Name: 3-[[(2S)-2-amino-2-phenyl-ethyl]amino]-1-isobutyl-pyrazin-2-one 3-[[(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) | -0.04 | 5.91 | -45.82 | 4 | 5 | 1 | 75 | 287.387 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.04 | 5.47 | -9.09 | 3 | 5 | 0 | 73 | 286.379 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.04 | 6.36 | -108.43 | 5 | 5 | 2 | 76 | 288.395 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
