| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2008 | 14 | Yes |
Popular Name: 2-[(2-aminoethyl)thio]-6-propylpyrimidin-4(1H)-one hydrochloride 2-[(2-aminoethyl)thio]-6-propylp…
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CAS Number: 1177353-83-1
2-[(2-aminoethyl)sulfanyl]-6-propyl-4(1H)-pyrimidinone
2-[(2-aminoethyl)sulfanyl]-6-propylpyrimidin-4(1H)-one
| 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) | 1.71 | 1.09 | -62.02 | 3 | 4 | 0 | 76 | 213.306 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.25 | 1.99 | -61.42 | 4 | 4 | 1 | 73 | 214.314 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.