In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 15th, 2012 | 20 | Yes |
Popular Name: 1-[6-(piperidine-1-carbonyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]ethanone 1-[6-(piperidine-1-carbonyl)-1H-…
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) | 1.25 | 4.95 | -11.78 | 1 | 5 | 0 | 66 | 271.32 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.25 | 5.39 | -38.22 | 2 | 5 | 1 | 67 | 272.328 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.