| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 18 | Yes |
Popular Name: (2S)-2-cyclopropyl-2-(methylamino)-3-[methyl-(1-methyl-4-piperidyl)amino]propanenitrile (2S)-2-cyclopropyl-2-(methylamin…
| 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) | 1.26 | 4.92 | -39.55 | 2 | 4 | 1 | 43 | 251.398 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.26 | 7.39 | -101.64 | 3 | 4 | 2 | 45 | 252.406 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.26 | 5.98 | -96.51 | 3 | 4 | 2 | 48 | 252.406 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
