In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2004 | 32 | Yes |
Popular Name: 2-[3-(4-chlorophenoxy)propylthio]-5-tetralin-6-yl-1H-thieno[2,3-d]pyrimidin-4-one 2-[3-(4-chlorophenoxy)propylthio…
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) | 7.76 | 13.4 | -17.54 | 1 | 4 | 0 | 55 | 483.058 | 7 | ↓ |
Hi High (pH 8-9.5) | 8.19 | 12.16 | -46.93 | 0 | 4 | -1 | 58 | 482.05 | 7 | ↓ |