| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 18 | Yes |
Popular Name: (2S)-1,1,1-trifluoro-3-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]propan-2-ol (2S)-1,1,1-trifluoro-3-[(3S)-3-(…
| 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) | 1.68 | 3.39 | -35.08 | 2 | 3 | 1 | 28 | 267.315 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.68 | 1.22 | -2.75 | 1 | 3 | 0 | 27 | 266.307 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.68 | 5.81 | -112.23 | 3 | 3 | 2 | 29 | 268.323 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.68 | 6.29 | -75.29 | 2 | 3 | 1 | 32 | 267.315 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
