In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2011 | 26 | Yes |
Popular Name: 4-[4-[(2R)-1-methylsulfonylazepan-2-yl]-1-piperidyl]thieno[3,2-d]pyrimidine 4-[4-[(2R)-1-methylsulfonylazepa…
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) | 3.10 | 8.27 | -13.12 | 0 | 6 | 0 | 66 | 394.566 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.10 | 8.73 | -32.5 | 1 | 6 | 1 | 68 | 395.574 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.