In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 23rd, 2006 | 28 | 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) | 1.60 | 3.9 | -14.27 | 2 | 7 | 0 | 102 | 378.384 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.60 | 4.15 | -40.66 | 3 | 7 | 1 | 103 | 379.392 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0056692A1; EP0074256A1; EP0074770A1; EP0137145A1; EP0885230A1; EP0929570A1; EP1003516A1; EP1044977A1; US4399276; US4399282; US4473692; US4513138; US4545880; US4604463; US5677286; US5932709; US6130227; US6156754; USRE32518; WO1996034003A1; WO1997031003A1 | IBM Patent Data |