| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 19 | No |
Popular Name: 4-nitro-N1-[(1S)-1-(3-pyridyl)ethyl]benzene-1,2-diamine 4-nitro-N1-[(1S)-1-(3-pyridyl)et…
| 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) | 1.89 | 4.9 | -10.47 | 3 | 6 | 0 | 97 | 258.281 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.89 | 5.39 | -47.62 | 4 | 6 | 1 | 98 | 259.289 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
