In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 5th, 2008 | 40 | No |
Popular Name: (2R)-2-isopropyl-2-[3-(trifluoromethyl)phenyl]-5-(4-BLAHylidene-1-piperidyl)pentanenitrile (2R)-2-isopropyl-2-[3-(trifluoro…
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) | 8.72 | 20.84 | -54.2 | 1 | 2 | 1 | 28 | 541.681 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.