In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2004 | 15 | Yes |
Popular Name: CPD0-1945; L-Ala-D-Gln CPD0-1945; L-Ala-D-Gln
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) | -2.31 | -2.68 | -67.38 | 6 | 7 | 0 | 140 | 217.225 | 6 | ↓ |
Hi High (pH 8-9.5) | -2.31 | -3 | -47.59 | 5 | 7 | -1 | 138 | 216.217 | 6 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0426667B1 | IBM Patent Data |