| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 16 | Yes |
Popular Name: 1-[(2S)-2-cyano-2-cyclopropyl-2-(methylamino)ethyl]-1,2,4-triazole-3-carbonitrile 1-[(2S)-2-cyano-2-cyclopropyl-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) | -0.18 | 4.39 | -16.03 | 1 | 6 | 0 | 90 | 216.248 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.18 | 5.5 | -51.56 | 2 | 6 | 1 | 95 | 217.256 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
