| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 15 | Yes |
Popular Name: 1-(5-Amino-3-phenyl-3H-[1,2,4]thiadiazol-2-yl)-ethanone 1-(5-Amino-3-phenyl-3H-[1,2,4]th…
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CAS Number: 247109-18-8
| 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) | 0.96 | 4.11 | -35.47 | 3 | 4 | 1 | 60 | 222.293 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.09 | 3.99 | -6.47 | 2 | 4 | 0 | 56 | 221.285 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.09 | 3.99 | -37.02 | 3 | 4 | 1 | 58 | 222.293 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
