In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 27 | Yes |
Popular Name: (7R)-2-benzyl-7-methyl-4-piperazin-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine (7R)-2-benzyl-7-methyl-4-piperaz…
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) | 4.54 | 11.97 | -51.7 | 2 | 4 | 1 | 46 | 379.553 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.54 | 10.65 | -6.71 | 1 | 4 | 0 | 41 | 378.545 | 3 | ↓ |