| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2008 | 15 | Yes |
Popular Name: 3-Methyl-2-methylthio-4,7(3H,8H)-pteridinedione,SodiumSalt 3-Methyl-2-methylthio-4,7(3H,8H)…
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CAS Number: 199789-54-3
| 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) | 0.95 | 1.69 | -13.96 | 1 | 6 | 0 | 81 | 224.245 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.41 | 0.58 | -46.18 | 0 | 6 | -1 | 84 | 223.237 | 1 | ↓ |
