| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 18th, 2008 | 22 | No |
Popular Name: (4Z)-5-methyl-2-(1-piperidylmethyl)-4-(3-pyridylhydrazono)pyrazol-3-one (4Z)-5-methyl-2-(1-piperidylmeth…
| 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) | 1.30 | 4.12 | -8.9 | 1 | 7 | 0 | 75 | 300.366 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.30 | 6.45 | -38.48 | 2 | 7 | 1 | 77 | 301.374 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.30 | 6.81 | -77.67 | 3 | 7 | 2 | 78 | 302.382 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.30 | 6.51 | -33.61 | 2 | 7 | 1 | 77 | 301.374 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 176 | MolMall (formerly Molecular Diversity Preservation International) |
No pre-computed analogs available. Try a structural similarity search.
