| 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]butanoic (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) | -0.64 | 6.29 | -84.72 | 3 | 5 | 1 | 64 | 310.34 | 8 | ↓ |
| Hi High (pH 8-9.5) | -0.64 | 2.97 | -48.89 | 1 | 5 | -1 | 59 | 308.324 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.64 | 5.25 | -61.13 | 2 | 5 | 0 | 60 | 309.332 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.64 | 4.03 | -35.58 | 2 | 5 | 0 | 63 | 309.332 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
