| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 16 | Yes |
Popular Name: (2S)-2-amino-2-cyclopropyl-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile (2S)-2-amino-2-cyclopropyl-3-[(4…
| 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) | 0.59 | 4.6 | -13.04 | 2 | 5 | 0 | 81 | 237.332 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.59 | 4.9 | -53.96 | 3 | 5 | 1 | 82 | 238.34 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
