| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2011 | 20 | Yes |
Popular Name: 5-[(3R)-3-amino-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyrazin-2-one 5-[(3R)-3-amino-3,4-dihydro-2H-q…
| 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) | -0.09 | 2.02 | -58.3 | 4 | 6 | 1 | 94 | 271.3 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.37 | -0.39 | -41.12 | 2 | 6 | -1 | 95 | 269.284 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.09 | 1.7 | -10.57 | 3 | 6 | 0 | 92 | 270.292 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.37 | -0.07 | -68.49 | 3 | 6 | 0 | 97 | 270.292 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
