| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 21 | Yes |
Popular Name: 2-[4-[(1S)-1-aminoethyl]-2-chloro-phenyl]sulfanyl-6-propyl-1H-pyrimidin-4-one 2-[4-[(1S)-1-aminoethyl]-2-chlor…
| 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) | 2.35 | 4.22 | -75.97 | 3 | 4 | 0 | 76 | 323.849 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.35 | 3.88 | -48.37 | 2 | 4 | -1 | 75 | 322.841 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.90 | 5.52 | -58.91 | 4 | 4 | 1 | 73 | 324.857 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
