| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2010 | 21 | Yes |
Popular Name: [5-(3-aminoprop-1-ynyl)-3-pyridyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone [5-(3-aminoprop-1-ynyl)-3-pyridy…
| 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 | -0.9 | -57.51 | 4 | 6 | 1 | 84 | 289.359 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.09 | -1.31 | -9.89 | 3 | 6 | 0 | 83 | 288.351 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -2.09 | 1.39 | -107.63 | 5 | 6 | 2 | 86 | 290.367 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
