In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 8th, 2011 | 19 | No |
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) | 2.79 | 6.72 | -9.94 | 0 | 3 | 0 | 28 | 261.365 | 9 | ↓ |
Lo Low (pH 4.5-6) | 2.79 | 6.76 | -27.12 | 1 | 3 | 0 | 29 | 262.373 | 9 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0336391A2 | IBM Patent Data |