| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 21 | Yes |
Popular Name: [4-(ethylamino)-2-pyridyl]-[4-[(1R)-1-methylpropyl]piperazin-1-yl]methanone [4-(ethylamino)-2-pyridyl]-[4-[(…
| 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) | 1.88 | 5 | -7.5 | 1 | 5 | 0 | 48 | 290.411 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.88 | 6.7 | -36.07 | 2 | 5 | 1 | 50 | 291.419 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.88 | 5.09 | -33.64 | 2 | 5 | 1 | 50 | 291.419 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.88 | 6.85 | -91.34 | 3 | 5 | 2 | 51 | 292.427 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
