In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 5th, 2011 | 24 | Yes |
Popular Name: 1-[4-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]butan-1-one 1-[4-[2-(1-ethylpyrrolo[2,3-b]py…
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) | 2.49 | 9.16 | -12.81 | 0 | 5 | 0 | 41 | 328.46 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.49 | 11.37 | -54.8 | 1 | 5 | 1 | 43 | 329.468 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.