| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 23rd, 2008 | 26 | Yes |
Popular Name: [(3S)-1-[(2-hydroxy-3-methoxy-phenyl)methyl]-3-piperidyl]-(2-methylsulfanylphenyl)methanone [(3S)-1-[(2-hydroxy-3-methoxy-ph…
| 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) | 3.59 | 9.91 | -39.7 | 2 | 4 | 1 | 51 | 372.51 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.59 | 10.79 | -36.16 | 1 | 4 | 0 | 54 | 371.502 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
