| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 16 | No |
Popular Name: 4-(4-Amino-6-mercapto-1,2-dihydro-1,3,5-triazin-2-yl)benzene-1,2-diol 4-(4-Amino-6-mercapto-1,2-dihydr…
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CAS Numbers: 1142208-62-5 , [1142208-62-5]
| 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) | 0.20 | 0.63 | -15.48 | 6 | 6 | 0 | 100 | 238.272 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.20 | 0.57 | -54.51 | 7 | 6 | 1 | 102 | 239.28 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.07 | 0.9 | -52.1 | 7 | 6 | 1 | 105 | 239.28 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
