In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2010 | 13 | 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) | 2.11 | 7.14 | -34.07 | 2 | 2 | 1 | 30 | 173.239 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.11 | 6.74 | -7.73 | 1 | 2 | 0 | 29 | 172.231 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | WO2000039083A2 | IBM Patent Data |