In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 36 | No |
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) | 5.27 | 16.09 | -88.95 | 2 | 7 | 2 | 66 | 529.468 | 9 | ↓ |
Mid Mid (pH 6-8) | 5.27 | 16.07 | -52.94 | 1 | 7 | 1 | 65 | 528.46 | 9 | ↓ |
Mid Mid (pH 6-8) | 5.27 | 15.07 | -13.14 | 0 | 7 | 0 | 63 | 527.452 | 9 | ↓ |
Mid Mid (pH 6-8) | 5.27 | 15.58 | -40.6 | 1 | 7 | 1 | 65 | 528.46 | 9 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US4218458; US4313953; US4533550 | IBM Patent Data |