| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 20 | Yes |
Popular Name: 2-isopropyl-4-methyl-5-(3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one 2-isopropyl-4-methyl-5-(3-oxopip…
| 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) | -0.59 | 1.14 | -17.31 | 2 | 7 | 0 | 95 | 278.312 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.14 | -0.89 | -54.84 | 1 | 7 | -1 | 98 | 277.304 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
