| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2010 | 21 | Yes |
Popular Name: 1-[4-[5-(3-aminoprop-1-ynyl)pyridine-3-carbonyl]piperazin-1-yl]ethanone 1-[4-[5-(3-aminoprop-1-ynyl)pyri…
| 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) | -2.09 | 3.09 | -64.85 | 3 | 6 | 1 | 81 | 287.343 | 1 | ↓ |
| Mid Mid (pH 6-8) | -2.09 | 2.69 | -14.81 | 2 | 6 | 0 | 80 | 286.335 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
