In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 3rd, 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) | 1.76 | 7.14 | -16 | 1 | 7 | 0 | 105 | 373.368 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.76 | 7.39 | -52.87 | 2 | 7 | 1 | 106 | 374.376 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0565621A1; EP0565621B1; EP0646117A1; EP0963988A2; EP1020468A2; EP1020468A3; US5162532; US5191082; US5200524; US5212317; US5243050; US5247089; US5258516; US5264579; US5315007; US5321140; US5475108; US5478943 | IBM Patent Data |