In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 18 | 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) | 3.61 | 10.16 | -29.2 | 1 | 2 | 1 | 17 | 239.342 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.61 | 9.83 | -5.2 | 0 | 2 | 0 | 16 | 238.334 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0623620A1; EP0623620B1 | IBM Patent Data |