In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 17th, 2010 | 15 | 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) | 1.79 | 3.86 | -12.52 | 1 | 4 | 0 | 64 | 208.213 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.79 | 4.56 | -46.66 | 0 | 4 | -1 | 66 | 207.205 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US4138581; US4336400; USRE30241 | IBM Patent Data |