In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2011 | 25 | No |
Popular Name: N-butyl-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide N-butyl-2-[4-(2,2-difluoroethyl)…
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) | 1.11 | 2.44 | -19.3 | 0 | 6 | 0 | 61 | 381.489 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.11 | 4.58 | -49.29 | 1 | 6 | 1 | 62 | 382.497 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.