In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 29 | Yes |
Popular Name: 5-(4-fluorophenyl)-4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine 5-(4-fluorophenyl)-4-[4-(2-pyrro…
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) | 3.73 | 12.05 | -38.81 | 1 | 5 | 1 | 37 | 412.558 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.73 | 9.51 | -5.95 | 0 | 5 | 0 | 35 | 411.55 | 5 | ↓ |