| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2009 | 25 | No |
Popular Name: 1-cyano-3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]ethyl]-2-methyl-isothiourea 1-cyano-3-[2-[4-(6-fluoro-1,2-be…
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|
| Mid Mid (pH 6-8) | 2.50 | 9.69 | -44.46 | 1 | 6 | 0 | 81 | 361.446 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.50 | 11.53 | -124.04 | 3 | 6 | 2 | 80 | 363.462 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5001134 | IBM Patent Data |
