In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 18th, 2008 | 25 | No |
Popular Name: 4-[(N'Z)-N'-[3-methyl-1-(morpholinomethyl)-5-oxo-pyrazol-4-ylidene]hydrazino]benzoic 4-[(N'Z)-N'-[3-methyl-1-(morphol…
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) | 1.22 | 3.97 | -49.25 | 1 | 9 | -1 | 112 | 344.351 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.22 | 6.36 | -73.8 | 2 | 9 | 0 | 113 | 345.359 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
mp | 187 | MolMall (formerly Molecular Diversity Preservation International) |
No pre-computed analogs available. Try a structural similarity search.