In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 26th, 2007 | 12 | 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) | 2.52 | 3.27 | -28.74 | 4 | 3 | 1 | 56 | 168.264 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.52 | 3.14 | -6.69 | 3 | 3 | 0 | 55 | 167.256 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.52 | 3.18 | -5.19 | 3 | 3 | 0 | 55 | 167.256 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US4416683; US4515625; US4636243; US4801718; US4943634; US5086184 | IBM Patent Data |