| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 15th, 2012 | 28 | Yes |
Popular Name: 1-benzyl-5-(4-ethylpiperazine-1-carbonyl)pyrrolo[2,3-b]pyridine-3-carbonitrile 1-benzyl-5-(4-ethylpiperazine-1-…
| 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) | 1.82 | 9.98 | -13.01 | 0 | 6 | 0 | 65 | 373.46 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.82 | 12.2 | -45.93 | 1 | 6 | 1 | 66 | 374.468 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.