| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 8th, 2009 | 15 | No |
Popular Name: 2-hydroxy-3-methoxybenzaldehyde thiosemicarbazone 2-hydroxy-3-methoxybenzaldehyde …
Find On: PubMed — Wikipedia — Google
CAS Numbers: 51146-75-9 , N/A
3-[(Z)-(2-hydroxy-3-methoxy-phenyl)methyleneamino]isothiourea
N'-[(1Z)-(2-hydroxy-3-methoxyphenyl)methylene]carbamohydrazonothioic acid
| 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) | 0.93 | 1.48 | -16.01 | 4 | 5 | 0 | 82 | 225.273 | 3 | ↓ |
| Ref Reference (pH 7) | 1.43 | 1.71 | -12.38 | 4 | 5 | 0 | 80 | 225.273 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.93 | 2.39 | -45.55 | 3 | 5 | -1 | 85 | 224.265 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.43 | 2.64 | -41.95 | 3 | 5 | -1 | 83 | 224.265 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.