| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 15th, 2011 | 19 | No |
Popular Name: (1R)-N'-(5-nitropyrimidin-2-yl)-1-phenyl-ethane-1,2-diamine (1R)-N'-(5-nitropyrimidin-2-yl)-…
| 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) | -0.17 | 5.9 | -53.95 | 4 | 7 | 1 | 111 | 260.277 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.17 | 5.54 | -6.29 | 3 | 7 | 0 | 110 | 259.269 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
