| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 20 | No |
Popular Name: 1-(3-methyl-5-nitro-imidazol-4-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-(3-methyl-5-nitro-imidazol-4-y…
| 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) | 1.37 | 9.65 | -65 | 2 | 7 | 1 | 83 | 274.304 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.37 | 8.37 | -15.91 | 1 | 7 | 0 | 79 | 273.296 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.37 | 10.13 | -109.17 | 3 | 7 | 2 | 85 | 275.312 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
