In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 15th, 2012 | 24 | Yes |
Popular Name: N6-(3-ethoxypropyl)-N2,N2,1-trimethyl-pyrrolo[3,2-b]pyridine-2,6-dicarboxamide N6-(3-ethoxypropyl)-N2,N2,1-trim…
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) | 0.81 | 3.95 | -13.52 | 1 | 7 | 0 | 76 | 332.404 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.81 | 4.38 | -45.45 | 2 | 7 | 1 | 78 | 333.412 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.