In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2011 | 22 | Yes |
Popular Name: (3S,5S)-3-[4-[(2-methoxyphenyl)methyl]-1-piperidyl]-5-methyl-tetrahydrofuran-2-one (3S,5S)-3-[4-[(2-methoxyphenyl)m…
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) | 1.87 | 9.92 | -41.01 | 1 | 4 | 1 | 40 | 304.41 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.87 | 7.53 | -11.26 | 0 | 4 | 0 | 39 | 303.402 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.