| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 15th, 2011 | 18 | Yes |
Popular Name: 3-[[(2S)-2-amino-2-phenyl-ethyl]amino]-1-methyl-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) | -1.16 | 3.77 | -46.52 | 4 | 5 | 1 | 75 | 245.306 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.16 | 3.41 | -9.55 | 3 | 5 | 0 | 73 | 244.298 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -1.16 | 4.14 | -107.86 | 5 | 5 | 2 | 76 | 246.314 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
