In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 19 | Yes |
Popular Name: (2R,3S)-3-tert-butoxycarbonyl-2-isobutyl-hex-5-enoic (2R,3S)-3-tert-butoxycarbonyl-2-…
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) | 3.92 | 10.03 | -46.21 | 0 | 4 | -1 | 66 | 269.361 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.92 | 8.03 | -7.85 | 1 | 4 | 0 | 64 | 270.369 | 9 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0874799B1; EP0925278A1; US5936116; WO1998011063A1; WO1998051665A2 | IBM Patent Data |