In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 21 | Yes |
Popular Name: 2-[(2S)-pyrrolidin-2-yl]-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole 2-[(2S)-pyrrolidin-2-yl]-5-[4-(t…
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) | 2.82 | 5.55 | -39.22 | 3 | 4 | 1 | 55 | 298.288 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.82 | 4.37 | -6.17 | 2 | 4 | 0 | 50 | 297.28 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.82 | 5.97 | -113.62 | 4 | 4 | 2 | 56 | 299.296 | 4 | ↓ |