In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 5th, 2011 | 26 | Yes |
Popular Name: N-butyl-N-methyl-1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidine-4-carboxamide N-butyl-N-methyl-1-[2-(1-methylp…
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) | 3.03 | 12.51 | -52.87 | 1 | 5 | 1 | 43 | 357.522 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.03 | 10.28 | -13.32 | 0 | 5 | 0 | 41 | 356.514 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.