In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2009 | 22 | Yes |
Popular Name: N-[5-[(4-bromo-3-chloro-phenyl)methyl]thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide N-[5-[(4-bromo-3-chloro-phenyl)m…
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) | 3.36 | 6.4 | -41.96 | 3 | 5 | 1 | 68 | 400.709 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.36 | 5.35 | -12.41 | 2 | 5 | 0 | 66 | 399.701 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.54 | 4.69 | -30.19 | 2 | 5 | 0 | 74 | 399.701 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.54 | 3.57 | -46.61 | 1 | 5 | -1 | 73 | 398.693 | 4 | ↓ |