| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 18 | No |
Popular Name: (5S)-5-[(3,4-dichlorophenyl)methyl]-4-hydroxy-3,5-dimethyl-thiophen-2-one (5S)-5-[(3,4-dichlorophenyl)meth…
| 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) | 4.83 | 6.64 | -17.75 | 1 | 2 | 0 | 37 | 303.21 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.01 | 7.29 | -7.52 | 0 | 2 | 0 | 34 | 303.21 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.54 | 7.35 | -35.63 | 0 | 2 | -1 | 40 | 302.202 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
