In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2011 | 19 | No |
Popular Name: 2,2,2-trifluoro-1-[(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone 2,2,2-trifluoro-1-[(2S)-2-(piper…
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) | -0.37 | 4.14 | -58.21 | 2 | 5 | 1 | 57 | 280.27 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.37 | 2.88 | -15.5 | 1 | 5 | 0 | 53 | 279.262 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.