| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 10 | No |
Popular Name: 2(5H)-Thiophenone, 5-ethyl-4-hydroxy-3-methyl- (9CI) 2(5H)-Thiophenone, 5-ethyl-4-hyd…
Find On: PubMed — Wikipedia — Google
CAS Number: 677722-64-4
| 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) | 1.36 | 4.03 | -4.65 | 0 | 2 | 0 | 34 | 158.222 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.88 | 2.99 | -34.32 | 0 | 2 | -1 | 40 | 157.214 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 3.01 | -34.43 | 0 | 2 | -1 | 40 | 157.214 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 3.01 | -34.35 | 0 | 2 | -1 | 40 | 157.214 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.88 | 3 | -34.37 | 0 | 2 | -1 | 40 | 157.214 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
