| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 19th, 2010 | 20 | Yes |
Popular Name: (S)-1-(2-carboxyphenyl methyl)-2-isobutyl piperazine (S)-1-(2-carboxyphenyl methyl)-2…
None
| 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) | 2.20 | 7.35 | -36.55 | 2 | 4 | 0 | 57 | 276.38 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.20 | 6.63 | -64.95 | 2 | 4 | 0 | 60 | 276.38 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.20 | 5.65 | -49.85 | 1 | 4 | -1 | 55 | 275.372 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.20 | 8.58 | -100.03 | 3 | 4 | 1 | 61 | 277.388 | 5 | ↓ |
