| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 17 | Yes |
Popular Name: (2S)-1,1,1-trifluoro-3-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]propan-2-ol (2S)-1,1,1-trifluoro-3-[(3R)-3-p…
| 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) | 1.18 | 2.8 | -35.12 | 2 | 3 | 1 | 28 | 253.288 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 0.39 | -2.75 | 1 | 3 | 0 | 27 | 252.28 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.18 | 5.21 | -110.04 | 3 | 3 | 2 | 29 | 254.296 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.18 | 5.69 | -73.71 | 2 | 3 | 1 | 32 | 253.288 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
