| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 12th, 2013 | 18 | No |
Popular Name: 2-(4-CHLOROBENZOYL)-3,3-DI(METHYLTHIO)ACRYLONITRILE 2-(4-CHLOROBENZOYL)-3,3-DI(METHY…
Find On: PubMed — Wikipedia — Google
CAS Number: 62455-56-5
| 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) | 2.12 | 3.21 | -24.54 | 3 | 3 | 0 | 68 | 303.836 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.12 | 3.04 | -40.51 | 2 | 3 | -1 | 66 | 302.828 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.