| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 18 | Yes |
Popular Name: (2S)-1,1,1-trifluoro-3-[(3S)-3-[(2R)-pyrrolidin-2-yl]-1-piperidyl]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) | 1.57 | 4.63 | -75.07 | 3 | 3 | 1 | 44 | 267.315 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 1.86 | -39.71 | 3 | 3 | 1 | 40 | 267.315 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.57 | 4.13 | -109.71 | 4 | 3 | 2 | 41 | 268.323 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
