| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2008 | 24 | No |
Popular Name: ethyl 2-[(5-{[2-(4-formylpiperazino)acetyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetate ethyl 2-[(5-{[2-(4-formylpiperaz…
Find On: PubMed — Wikipedia — Google
CAS Number: 329699-21-0
| 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) | 0.28 | 2.49 | -45.06 | 0 | 9 | -1 | 111 | 372.452 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.47 | 3.46 | -19.78 | 1 | 9 | 0 | 105 | 373.46 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.28 | 3.96 | -63.11 | 2 | 9 | 1 | 109 | 374.468 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.28 | 4.74 | -44.66 | 1 | 9 | 0 | 112 | 373.46 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.