| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 22nd, 2011 | 18 | No |
Popular Name: 2-[[5-[(N'E)-N'-(3-pyridylmethylene)hydrazino]-4H-1,2,4-triazol-3-yl]sulfanyl]acetonitrile 2-[[5-[(N'E)-N'-(3-pyridylmethyl…
| 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) | 0.47 | 6.29 | -16.79 | 2 | 7 | 0 | 103 | 259.298 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.47 | 6.09 | -44.35 | 1 | 7 | -1 | 101 | 258.29 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
