| 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)-2-chlorophenol 4-(4-Amino-6-mercapto-1,2-dihydr…
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CAS Number: 1142201-11-3
| 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) | 1.56 | 3.25 | -14.21 | 5 | 5 | 0 | 80 | 256.718 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 4.01 | -46.82 | 4 | 5 | -1 | 83 | 255.71 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.56 | 3.18 | -50.24 | 6 | 5 | 1 | 82 | 257.726 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 3.53 | -49.03 | 6 | 5 | 1 | 84 | 257.726 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
