In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 17 | No |
Popular Name: N-methyl-1-[5-(4-nitrophenyl)-1H-imidazol-2-yl]methanamine N-methyl-1-[5-(4-nitrophenyl)-1H…
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) | 1.22 | 5.39 | -51.42 | 3 | 6 | 1 | 91 | 233.251 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.22 | 3.99 | -10.36 | 2 | 6 | 0 | 87 | 232.243 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.22 | 4.98 | -29.97 | 2 | 6 | 0 | 89 | 232.243 | 4 | ↓ |