In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 2nd, 2011 | 25 | Yes |
Popular Name: N-[1-[(1-cyanoindolizin-2-yl)methyl]-4-piperidyl]-N-ethyl-methanesulfonamide N-[1-[(1-cyanoindolizin-2-yl)met…
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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) | 1.62 | 8.34 | -57.22 | 1 | 6 | 1 | 70 | 361.491 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.62 | 6.13 | -20.77 | 0 | 6 | 0 | 69 | 360.483 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.