| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 21 | Yes |
Popular Name: 2-[4-[(1S)-1-aminoethyl]-2-bromo-phenyl]sulfanyl-6-propyl-1H-pyrimidin-4-one 2-[4-[(1S)-1-aminoethyl]-2-bromo…
| 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) | 2.48 | 4.29 | -75.56 | 3 | 4 | 0 | 76 | 368.3 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.48 | 3.96 | -48.02 | 2 | 4 | -1 | 75 | 367.292 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.03 | 5.6 | -58.67 | 4 | 4 | 1 | 73 | 369.308 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
