In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 5th, 2005 | 21 | Yes |
Popular Name: N-[5-[(3-chlorophenyl)methyl]thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide N-[5-[(3-chlorophenyl)methyl]thi…
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) | 2.60 | 5.84 | -40.56 | 3 | 5 | 1 | 68 | 321.813 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.78 | 3.01 | -47.23 | 1 | 5 | -1 | 73 | 319.797 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.78 | 4.13 | -30.26 | 2 | 5 | 0 | 74 | 320.805 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.60 | 4.79 | -11.38 | 2 | 5 | 0 | 66 | 320.805 | 4 | ↓ |