| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 19 | Yes |
Popular Name: (2S)-4-(1,3-benzodioxol-5-yl)-2-(cyclopropylamino)-2-methyl-butanenitrile (2S)-4-(1,3-benzodioxol-5-yl)-2-…
| 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) | 2.89 | 5.24 | -9.62 | 1 | 4 | 0 | 54 | 258.321 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.89 | 6.38 | -50.75 | 2 | 4 | 1 | 59 | 259.329 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
