In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2006 | 21 | Yes |
Popular Name: 3-cyclohexyl-7-(4-fluorophenyl)-4-thia-1,2,6-triazabicyclo[3.3.0]octa-2,5,7-triene 3-cyclohexyl-7-(4-fluorophenyl)-…
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) | 4.16 | 10.25 | -8.3 | 0 | 3 | 0 | 30 | 301.39 | 2 | ↓ |
Mid Mid (pH 6-8) | 4.16 | 10.69 | -28.75 | 1 | 3 | 1 | 31 | 302.398 | 2 | ↓ |