In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 25th, 2010 | 22 | Yes |
Popular Name: 2-[[(3,4-difluorophenyl)methyl-methyl-amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[(3,4-difluorophenyl)methyl-m…
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) | 2.76 | 5.34 | -58.3 | 1 | 4 | 0 | 53 | 321.352 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.31 | 5.89 | -16.39 | 1 | 4 | 0 | 49 | 321.352 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.31 | 8.2 | -65.6 | 2 | 4 | 1 | 50 | 322.36 | 4 | ↓ |