| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2011 | 26 | Yes |
Popular Name: 6-[(3S)-1-benzylpyrrolidin-3-yl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[(3S)-1-benzylpyrrolidin-3-yl]…
| 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) | 1.91 | 6.74 | -80.06 | 1 | 6 | 0 | 86 | 346.39 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | 4.32 | -45.08 | 0 | 6 | -1 | 85 | 345.382 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.01 | 8.74 | -72.27 | 2 | 6 | 1 | 83 | 347.398 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
