In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2010 | 17 | Yes |
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) | 2.71 | 2.64 | -11.37 | 2 | 4 | 0 | 66 | 227.219 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.71 | 3.44 | -51.94 | 1 | 4 | -1 | 69 | 226.211 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0153818A2; EP0156603A2; EP0164860A1; EP0175551A1; EP0244918A2; EP0276500A2; EP0276500B1; US4556672; US4569942; US4652658; US4658037; US4665194; US4690943; US4721712; US4752609; US4808601 | IBM Patent Data |