| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 17 | Yes |
Popular Name: N-[2-(4-thiazol-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine N-[2-(4-thiazol-2-ylpiperazin-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) | 0.58 | 2.86 | -6.27 | 1 | 4 | 0 | 31 | 250.371 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.58 | 4.24 | -45.45 | 2 | 4 | 1 | 36 | 251.379 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.58 | 5.07 | -44.01 | 2 | 4 | 1 | 33 | 251.379 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.58 | 4.68 | -81.39 | 3 | 4 | 2 | 37 | 252.387 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
