| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 15th, 2011 | 19 | No |
Popular Name: (1S)-N'-(6-nitro-3-pyridyl)-1-phenyl-ethane-1,2-diamine (1S)-N'-(6-nitro-3-pyridyl)-1-ph…
| 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) | 0.14 | 5.38 | -69.45 | 4 | 6 | 1 | 98 | 259.289 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.14 | 5.02 | -13.18 | 3 | 6 | 0 | 97 | 258.281 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
