In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2010 | 17 | Yes |
Popular Name: 2-[1-[(2-chloro-4-fluoro-phenyl)methyl]imidazol-2-yl]ethanamine 2-[1-[(2-chloro-4-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) | 1.45 | 5.57 | -60.08 | 3 | 3 | 1 | 45 | 254.716 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.45 | 5.18 | -8.73 | 2 | 3 | 0 | 44 | 253.708 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.45 | 6.13 | -117.23 | 4 | 3 | 2 | 47 | 255.724 | 4 | ↓ |