| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 21 | No |
Popular Name: 1-(2-methyl-3-nitro-phenyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-(2-methyl-3-nitro-phenyl)-2,3,…
| 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) | 3.42 | 9.48 | -53.41 | 2 | 5 | 1 | 66 | 284.339 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.42 | 8.22 | -6.62 | 1 | 5 | 0 | 61 | 283.331 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
