In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2011 | 19 | Yes |
Popular Name: 1-(azepan-1-yl)-2-(2H-pyrrolo[2,3-b]pyridin-3-yl)ethanone 1-(azepan-1-yl)-2-(2H-pyrrolo[2,…
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 | 6.96 | -33.73 | 1 | 4 | 1 | 47 | 258.345 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.99 | 7.41 | -101.46 | 2 | 4 | 2 | 48 | 259.353 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.