| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 16 | Yes |
Popular Name: (2S)-2-amino-2-cyclopropyl-3-(4-ethylpiperazin-1-yl)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) | 0.73 | 4.12 | -35.26 | 3 | 4 | 1 | 57 | 223.344 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.73 | 1.84 | -6.92 | 2 | 4 | 0 | 56 | 222.336 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.73 | 3.87 | -100.39 | 4 | 4 | 2 | 59 | 224.352 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
