In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2006 | 18 | Yes |
Popular Name: 7-ethyl-3-(3-methoxyphenyl)-6-thia-1,4,8-triazabicyclo[3.3.0]octa-2,4,7-triene 7-ethyl-3-(3-methoxyphenyl)-6-th…
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) | 2.69 | 6.97 | -13.36 | 0 | 4 | 0 | 39 | 259.334 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.69 | 7.41 | -26.56 | 1 | 4 | 1 | 41 | 260.342 | 3 | ↓ |