In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2005 | 28 | Yes |
Popular Name: CC1([C@@H]([C@H](c2cc(ccc2O1)C(=O)CO)NC(=O)c3cc(cc(c3)F)F)O)C CC1([C@@H]([C@H](c2cc(ccc2O1)C(=…
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) | 1.87 | -1.86 | -15.7 | 3 | 6 | 0 | 95 | 391.37 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | WO2000000484A1 | IBM Patent Data |