In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2005 | 24 | Yes |
Popular Name: 3-fluoro-N-[3-(4-thia-1,6-diazabicyclo[3.3.0]octa-5,7-dien-7-yl)phenyl]-benzamide 3-fluoro-N-[3-(4-thia-1,6-diazab…
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) | 3.45 | -0.32 | -22.03 | 1 | 4 | 0 | 47 | 339.395 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.45 | -0.08 | -31.02 | 2 | 4 | 1 | 48 | 340.403 | 3 | ↓ |