| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2011 | 21 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanamide (2S)-2-(cyclopropylamino)-4-[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) | 0.86 | 0.11 | -39.57 | 4 | 5 | 1 | 66 | 309.356 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.86 | -0.92 | -10.66 | 3 | 5 | 0 | 62 | 308.348 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.86 | 1.36 | -53.91 | 4 | 5 | 1 | 63 | 309.356 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.86 | 2.36 | -119.33 | 5 | 5 | 2 | 67 | 310.364 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
