| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2009 | 30 | Yes |
Popular Name: (2S)-2-[2-(4-tert-butoxycarbonylpiperazin-1-yl)ethoxycarbonylamino]-3-phenyl-propanoic (2S)-2-[2-(4-tert-butoxycarbonyl…
| 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) | 2.51 | 7.63 | -53.27 | 1 | 9 | -1 | 111 | 420.486 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 2.51 | 9.83 | -71.83 | 2 | 9 | 0 | 112 | 421.494 | 10 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0373497A2; US5215968 | IBM Patent Data |
