| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 4th, 2010 | 20 | Yes |
Popular Name: [5-(3-aminoprop-1-ynyl)-2-thienyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone [5-(3-aminoprop-1-ynyl)-2-thieny…
| 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) | -0.22 | 0.07 | -58.64 | 4 | 5 | 1 | 71 | 294.4 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.22 | -0.34 | -9.96 | 3 | 5 | 0 | 70 | 293.392 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.22 | 2.31 | -99.85 | 5 | 5 | 2 | 73 | 295.408 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
