| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 12th, 2013 | 22 | No |
Popular Name: 2-PHENYLAMINOMETHYLENE-MALONIC ACIDDIETHYL ESTER 2-PHENYLAMINOMETHYLENE-MALONIC A…
Find On: PubMed — Wikipedia — Google
CAS Number: 54535-22-7
| 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) | 1.05 | 4.33 | -44.55 | 2 | 7 | -1 | 119 | 308.31 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.05 | 4.07 | -44.06 | 2 | 7 | -1 | 119 | 308.31 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 1.05 | 4.49 | -33.75 | 3 | 7 | 0 | 121 | 309.318 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 1.05 | 4.74 | -34.93 | 3 | 7 | 0 | 121 | 309.318 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.