| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 19 | Yes |
Popular Name: 4-[2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]acetyl]benzonitrile 4-[2-[methyl-[[(2S)-tetrahydrofu…
| 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) | 1.62 | 7.89 | -48.12 | 1 | 4 | 1 | 55 | 259.329 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.62 | 5.54 | -11.67 | 0 | 4 | 0 | 53 | 258.321 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
