In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2011 | 20 | Yes |
Popular Name: (2S)-2-(1,3-dioxolan-2-yl)-1-(2-phenoxyethyl)piperidine (2S)-2-(1,3-dioxolan-2-yl)-1-(2-…
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) | 2.72 | 5.69 | -4.86 | 0 | 4 | 0 | 31 | 277.364 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.72 | 7.76 | -30.65 | 1 | 4 | 1 | 32 | 278.372 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.