| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 20 | Yes |
Popular Name: 4-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]quinoline-3-carbonitrile 4-[methyl-[[(2S)-tetrahydrofuran…
| 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) | 2.39 | 8.25 | -6.32 | 0 | 4 | 0 | 49 | 267.332 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.39 | 8.67 | -32.69 | 1 | 4 | 1 | 50 | 268.34 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
