| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 18 | Yes |
Popular Name: (2S)-1,1,1-trifluoro-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol (2S)-1,1,1-trifluoro-3-(1,3,4,5-…
| 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) | 2.53 | 6.47 | -27.66 | 1 | 2 | 0 | 27 | 259.271 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.53 | 4.34 | -43.91 | 0 | 2 | -1 | 26 | 258.263 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.53 | 5.98 | -40.46 | 2 | 2 | 1 | 25 | 260.279 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
