| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 17 | Yes |
Popular Name: (2R)-2-amino-2-cyclopropyl-3-[methyl-[(3S)-1-methyl-3-piperidyl]amino]propanenitrile (2R)-2-amino-2-cyclopropyl-3-[me…
| 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) | 0.89 | 3.41 | -41.05 | 3 | 4 | 1 | 57 | 237.371 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.89 | 1.18 | -5.12 | 2 | 4 | 0 | 56 | 236.363 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.89 | 5.4 | -112.22 | 4 | 4 | 2 | 59 | 238.379 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.89 | 3.8 | -103.68 | 4 | 4 | 2 | 59 | 238.379 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
