| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 21 | Yes |
Popular Name: 2-[4-[(2S)-2-amino-2-phenyl-propanoyl]piperazin-1-yl]acetic 2-[4-[(2S)-2-amino-2-phenyl-prop…
| 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) | -0.67 | 5.34 | -37.13 | 3 | 6 | 0 | 91 | 291.351 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.67 | 3.16 | -48.48 | 2 | 6 | -1 | 90 | 290.343 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.67 | 5.54 | -93.58 | 4 | 6 | 1 | 93 | 292.359 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
