In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 5th, 2011 | 25 | Yes |
Popular Name: [1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-piperidyl]-pyrrolidin-1-yl-methanone [1-[2-(1-methylpyrrolo[2,3-b]pyr…
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) | 1.99 | 11.32 | -52.85 | 1 | 5 | 1 | 43 | 341.479 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.99 | 9.09 | -13.8 | 0 | 5 | 0 | 41 | 340.471 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.