| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 20 | No |
Popular Name: 1-(5-nitropyrimidin-2-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-(5-nitropyrimidin-2-yl)-2,3,4,…
| 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) | 1.61 | 8.65 | -48.04 | 2 | 7 | 1 | 91 | 272.288 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 7.39 | -6.59 | 1 | 7 | 0 | 87 | 271.28 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
