In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2010 | 17 | Yes |
Popular Name: 2-[1-[(2-chloro-6-fluoro-phenyl)methyl]imidazol-2-yl]ethanamine 2-[1-[(2-chloro-6-fluoro-phenyl)…
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) | 1.42 | 5.61 | -48.24 | 3 | 3 | 1 | 45 | 254.716 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.42 | 5.22 | -7.59 | 2 | 3 | 0 | 44 | 253.708 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.42 | 6.08 | -101.83 | 4 | 3 | 2 | 47 | 255.724 | 4 | ↓ |